Ingredient ID: NPC84024
Formula: C35H58O6
Common Name | n.a. |
IUPAC Name | (2S,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
Canonical SMILES | CC[C@@H](C(C)C)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C |
Standard InCHI | InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35-/m1/s1 |
Standard InCHIKey | VWDLOXMZIGUBKM-OYTRLDRLSA-N |
Ingredient External Links |
PubChem CID: 101689889 |
Plant-Ingredient Association Reference |
Database: TCMID [40207] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae | |
Dioscorea collettii var. hypoglauca | Dioscorea | Dioscoreaceae | |
Codonopsis pilosula | Codonopsis | Campanulaceae |
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Dioscorea septemloba | Dioscorea | Dioscoreaceae | |
Rubia wallichiana | Rubia | Rubiaceae |
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Gardenia jasminoides | Gardenia | Rubiaceae |
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Ingredient ID: NPC80466
Formula: C35H54O7
Common Name | n.a. |
IUPAC Name | (2S,4aS,6aR,6aS,6bR,8aR,10S,12aR)-10-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid |
Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1(C2=C(C)[C@@H](C)CC1)C(=O)O)C)C |
Standard InCHI | InChI=1S/C35H54O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(18-36)41-29/h8,19,22-25,27-29,36-38H,9-18H2,1-7H3,(H,39,40)/t19-,22+,23-,24+,25-,27-,28+,29-,32-,33+,34+,35-/m0/s1 |
Standard InCHIKey | FHYVXROQJGJCKH-GBYWDZGLSA-N |
Ingredient External Links |
PubChem CID: 441931 ZINC ID: ZINC000008234237 |
Plant-Ingredient Association Reference |
Database: TCMID [31303] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae | |
Callerya cinerea | Callerya | Fabaceae |
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Urtica dioica | Urtica | Urticaceae |
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Typha latifolia | Typha | Typhaceae |
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Spatholobus suberectus | Spatholobus | Fabaceae |
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Betula platyphylla | Betula | Betulaceae |
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Ingredient ID: NPC76939
Formula: C42H32O9
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1c2c(O)cc(cc2[C@@H]2c3c4[C@H]1[C@@H](c1cc(O)cc(c1)O)[C@@H](c4c(cc3O[C@H]2c1ccc(cc1)O)O)c1ccc(cc1)O)O |
Standard InCHI | InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)40-34(20-3-9-24(44)10-4-20)36-29(16-28(48)17-30(36)49)37-39-32(18-31(50)38(33)41(39)40)51-42(37)21-5-11-25(45)12-6-21/h1-18,33-35,37,40,42-50H/t33-,34+,35-,37+,40+,42-/m0/s1 |
Standard InCHIKey | QDEHKEFWCRAFDN-ZYLOEWDGSA-N |
Ingredient External Links |
PubChem CID: 101383933 ZINC ID: ZINC000095910311 |
Plant-Ingredient Association Reference |
Database: UNPD [] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ipomoea digitata | Ipomoea | Convolvulaceae |
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Annona cornifolia | Annona | Annonaceae |
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Salvia syriaca | Salvia | Lamiaceae | |
Solanum laxum | Solanum | Solanaceae |
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Eucalyptus melliodora | Eucalyptus | Myrtaceae | |
Scutellaria amoena | Scutellaria | Lamiaceae |
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Goniothalamus malayanus | Goniothalamus | Annonaceae | |
Pastinaca sativa | Pastinaca | Apiaceae |
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Lysimachia mauritiana | Lysimachia | Primulaceae | |
Ilex pubescens | Ilex | Aquifoliaceae | |
Swertia franchetiana | Swertia | Gentianaceae |
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Helipterum roseum | Helipterum | Asteraceae | |
Hedysarum connatum | Hedysarum | Fabaceae | |
Zanthoxylum tetraspermum | Zanthoxylum | Rutaceae |
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Artemisia assoana | Artemisia | Asteraceae | |
Dumortiera hirsuta | Dumortiera | Dumortieraceae |
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Lepisorus ussuriensis | Lepisorus | Polypodiaceae |
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Alstonia spathulata | Alstonia | Apocynaceae | |
Phoebe pittieri | Phoebe | Lauraceae | |
Hypericum laricifolium | Hypericum | Hypericaceae |
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Vitis vinifera | Vitis | Vitaceae |
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Adiantum lunulatum | Adiantum | Pteridaceae |
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Peltostigma guatemalense | Peltostigma | Rutaceae | |
Acacia adunca | Acacia | Fabaceae | |
Viguiera incana | Viguiera | Asteraceae | |
Astragalus sempervirens | Astragalus | Fabaceae | |
Marrubium anisodon | Marrubium | Lamiaceae |
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Wikstroemia retusa | Wikstroemia | Thymelaeaceae | |
Naucleopsis ternstroemiiflora | Naucleopsis | Moraceae | |
Rumex maritimus | Rumex | Polygonaceae |
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Chaenomeles sinensis | Chaenomeles | Rosaceae |
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Calostephane divaricata | Calostephane | Asteraceae | |
Vaccinium oxycoccos | Vaccinium | Ericaceae |
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Caragana aurantiaca | Caragana | Fabaceae | |
Premna odorata | Premna | Lamiaceae |
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Cotyledon secunda | Cotyledon | Crassulaceae | |
Rauvolfia vomitoria | Rauvolfia | Apocynaceae |
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Gnetum latifolium | Gnetum | Gnetaceae |
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Ingredient ID: NPC71686
Formula: C42H30O9
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1cc2c3c(c1)O[C@H]([C@@H]3c1cc(O)cc3c1[C@@H](c1c4[C@H]2[C@H](Oc4cc(c1)O)c1ccc(cc1)O)[C@@H](O3)c1ccc(cc1)O)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39+,40+,41+,42-/m1/s1 |
Standard InCHIKey | KUTVNHOAKHJJFL-ZSIJVUTGSA-N |
Ingredient External Links |
PubChem CID: 196402 ZINC ID: ZINC000003935371 ChEMBL ID: CHEMBL443463 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC71686] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ipomoea digitata | Ipomoea | Convolvulaceae |
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Annona cornifolia | Annona | Annonaceae |
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Salvia syriaca | Salvia | Lamiaceae | |
Solanum laxum | Solanum | Solanaceae |
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Eucalyptus melliodora | Eucalyptus | Myrtaceae | |
Scutellaria amoena | Scutellaria | Lamiaceae |
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Goniothalamus malayanus | Goniothalamus | Annonaceae | |
Pastinaca sativa | Pastinaca | Apiaceae |
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Lysimachia mauritiana | Lysimachia | Primulaceae | |
Ilex pubescens | Ilex | Aquifoliaceae | |
Swertia franchetiana | Swertia | Gentianaceae |
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Helipterum roseum | Helipterum | Asteraceae | |
Hedysarum connatum | Hedysarum | Fabaceae | |
Zanthoxylum tetraspermum | Zanthoxylum | Rutaceae |
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Artemisia assoana | Artemisia | Asteraceae | |
Dumortiera hirsuta | Dumortiera | Dumortieraceae |
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Lepisorus ussuriensis | Lepisorus | Polypodiaceae |
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Alstonia spathulata | Alstonia | Apocynaceae | |
Phoebe pittieri | Phoebe | Lauraceae | |
Hypericum laricifolium | Hypericum | Hypericaceae |
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Vitis vinifera | Vitis | Vitaceae |
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Adiantum lunulatum | Adiantum | Pteridaceae |
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Peltostigma guatemalense | Peltostigma | Rutaceae | |
Acacia adunca | Acacia | Fabaceae | |
Viguiera incana | Viguiera | Asteraceae | |
Astragalus sempervirens | Astragalus | Fabaceae | |
Marrubium anisodon | Marrubium | Lamiaceae |
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Wikstroemia retusa | Wikstroemia | Thymelaeaceae | |
Naucleopsis ternstroemiiflora | Naucleopsis | Moraceae | |
Rumex maritimus | Rumex | Polygonaceae |
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Chaenomeles sinensis | Chaenomeles | Rosaceae |
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Caragana sinica | Caragana | Fabaceae |
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Calostephane divaricata | Calostephane | Asteraceae | |
Vaccinium oxycoccos | Vaccinium | Ericaceae |
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Caragana aurantiaca | Caragana | Fabaceae | |
Premna odorata | Premna | Lamiaceae |
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Cotyledon secunda | Cotyledon | Crassulaceae | |
Rauvolfia vomitoria | Rauvolfia | Apocynaceae |
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Gnetum latifolium | Gnetum | Gnetaceae |
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Ingredient ID: NPC71074
Formula: C30H48O4
Common Name | Corosolic Acid |
IUPAC Name | (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid |
Canonical SMILES | C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)C[C@@H](O)[C@@H](C1(C)C)O)C(=O)O |
Standard InCHI | InChI=1S/C30H48O4/c1-17-10-13-30(25(33)34)15-14-28(6)19(23(30)18(17)2)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h8,17-18,20-24,31-32H,9-16H2,1-7H3,(H,33,34)/t17-,18+,20-,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
Standard InCHIKey | HFGSQOYIOKBQOW-ZSDYHTTISA-N |
Ingredient External Links |
PubChem CID: 6918774 ZINC ID: ZINC000008829484 ChEMBL ID: CHEMBL391533 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC71074] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Glechoma longituba | Glechoma | Lamiaceae |
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Prunus cerasoides | Prunus | Rosaceae |
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Artemisia hanseniana | Artemisia | Asteraceae | |
Centella asiatica | Centella | Apiaceae |
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Rubus alceifolius | Rubus | Rosaceae |
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Styrax benzoin | Styrax | Styracaceae |
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Tulipa sylvestris | Tulipa | Liliaceae |
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Kopsia grandifolia | Kopsia | Apocynaceae | |
Ledebouria socialis | Ledebouria | Hyacinthaceae | |
Acer pictum subsp. okamotoanum | Acer | Sapindaceae |
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Amsinckia menziesii | Amsinckia | Boraginaceae | |
Lycopus europaeus | Lycopus | Lamiaceae |
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Cneorum pulverulentum | Cneorum | Rutaceae |
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Dipodium punctatum | Dipodium | Orchidaceae | |
Dipterocarpus dyeri | Dipterocarpus | Dipterocarpaceae | |
Cornus officinalis | Cornus | Cornaceae |
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Glycine falcata | Glycine | Fabaceae | |
Styrax tonkinensis | Styrax | Styracaceae |
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Ipomoea cairica | Ipomoea | Convolvulaceae |
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Senecio fuertesii | Senecio | Asteraceae | |
Pyrola japonica | Pyrola | Ericaceae |
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Psittacanthus cucullaris | Psittacanthus | Loranthaceae | |
Ceanothus velutinus | Ceanothus | Rhamnaceae |
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Polygala amarella | Polygala | Polygalaceae |
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Aspilia hispida | Aspilia | Asteraceae | |
Garcinia scortechinii | Garcinia | Clusiaceae | |
Apollonias barbujana | Apollonias | Lauraceae | |
Clutia richardiana | Clutia | Peraceae | |
Chlorophytum borivilianum | Chlorophytum | Asparagaceae |
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Campsis radicans | Campsis | Bignoniaceae |
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Melaleuca uncinata | Melaleuca | Myrtaceae | |
Salvia palaestina | Salvia | Lamiaceae | |
Hakea saligna | Hakea | Proteaceae | |
Ilex pubescens | Ilex | Aquifoliaceae | |
Aquilaria sinensis | Aquilaria | Thymelaeaceae |
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Vitex negundo | Vitex | Lamiaceae |
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Senecio nemorensis | Senecio | Asteraceae |
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Salvia trijuga | Salvia | Lamiaceae |
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Cissus quinquefolia | Cissus | Vitaceae | |
Boswellia carterii | Boswellia | Burseraceae |
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Dracocephalum kotschyi | Dracocephalum | Lamiaceae |
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Isodon japonica var. glaucocalyx | Isodon | Lamiaceae | |
Diospyros verrucosa | Diospyros | Ebenaceae |
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Isodon lophanthoides | Isodon | Lamiaceae |
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Verbesina virgata | Verbesina | Asteraceae | |
Dalea versicolor | Dalea | Fabaceae | |
Alstonia yunnanensis | Alstonia | Apocynaceae |
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Sideritis cystosiphon | Sideritis | Lamiaceae | |
Avrainvillea nigricans | Avrainvillea | Udoteaceae | |
Fragaria vesca | Fragaria | Rosaceae |
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Agrimonia pilosa | Agrimonia | Rosaceae |
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Geranium nepalense | Geranium | Geraniaceae |
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Mosla chinensis | Mosla | Lamiaceae |
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Isodon adenolomus | Isodon | Lamiaceae | |
Rhododendron ferrugineum | Rhododendron | Ericaceae |
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Stachys tuberifera | Stachys | Lamiaceae |
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Tylophora atrofolliculata | Tylophora | Apocynaceae |
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Ligularia dentata | Ligularia | Asteraceae |
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Drypetes roxburghii | Drypetes | Putranjivaceae |
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Achyrocline bogotensis | Achyrocline | Asteraceae | |
Buddleja variabilis | Buddleja | Scrophulariaceae | |
Euphorbia franckiana | Euphorbia | Euphorbiaceae | |
Dasymaschalon blumei | Dasymaschalon | Annonaceae | |
Chamaemelum fuscatum | Chamaemelum | Asteraceae | |
Scutellaria albida | Scutellaria | Lamiaceae |
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Senecio scandens | Senecio | Asteraceae |
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Rubus idaeus | Rubus | Rosaceae |
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Uncaria gambier | Uncaria | Rubiaceae |
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Vallaris solanacea | Vallaris | Apocynaceae |
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Campsis grandiflora | Campsis | Bignoniaceae |
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Mentha pulegiformis | Mentha | Lamiaceae | |
Athanasia crithmifolia | Athanasia | Asteraceae | |
Lasianthus fordii | Lasianthus | Rubiaceae | |
Salvia nubicola | Salvia | Lamiaceae |
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Grindelia nana | Grindelia | Asteraceae | |
Patrinia scabiosifolia | Patrinia | Caprifoliaceae |
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Haloxylon salicornicum | Haloxylon | Chenopodiaceae |
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Leucanthemum maximum | Leucanthemum | Asteraceae | |
Elsholtzia ciliata | Elsholtzia | Lamiaceae |
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Vitex trifolia | Vitex | Lamiaceae |
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Calea megacephala | Calea | Asteraceae | |
Abies nobilis | Abies | Pinaceae | |
Persea indica | Persea | Lauraceae |
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Corydalis cornuta | Corydalis | Papaveraceae | |
Disepalum plagioneurum | Disepalum | Annonaceae | |
Perovskia abrotanoides | Salvia | Lamiaceae |
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Piper aequale | Piper | Piperaceae |
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Alkanna hirsutissima | Alkanna | Boraginaceae | |
Pinus picea | Pinus | Pinaceae | |
Picris radicata | Picris | Asteraceae | |
Kippistia suaedifolia | Kippistia | Asteraceae | |
Acrocomia sclerocarpa | Acrocomia | Arecaceae | |
Picradeniopsis pringlei | Picradeniopsis | Asteraceae | |
Eremophila serrulata | Eremophila | Scrophulariaceae | |
Rodgersia podophylla | Rodgersia | Saxifragaceae |
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Delphinium campylocentrum | Delphinium | Ranunculaceae | |
Cordyline indivisa | Cordyline | Asparagaceae |
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Primula hirsuta | Primula | Primulaceae | |
Jasminum grandiflorum | Jasminum | Oleaceae |
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Viscum coloratum | Viscum | Viscaceae |
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Hertia intermedia | Hertia | Asteraceae | |
Swertia angustifolia | Swertia | Gentianaceae |
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Pelargonium reniforme | Pelargonium | Geraniaceae |
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Haplopappus ciliatus | Haplopappus | Asteraceae | |
Symplocos lancifolia | Symplocos | Symplocaceae | |
Eriobotrya japonica | Eriobotrya | Rosaceae |
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Tetraneuris acaulis | Tetraneuris | Asteraceae | |
Buddleja scordioides | Buddleja | Scrophulariaceae | |
Glechoma grandis | Glechoma | Lamiaceae |
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Fagus crenata | Fagus | Fagaceae |
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Viburnum ayavacense | Viburnum | Adoxaceae | |
Artemisia umbelliformis | Artemisia | Asteraceae |
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Casimiroa tetrameria | Casimiroa | Rutaceae |
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Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Vatica cinerea | Vatica | Dipterocarpaceae | |
Cardamine pinnata | Cardamine | Brassicaceae | |
Codonocarpus australis | Codonocarpus | Gyrostemonaceae | |
Schizonepeta multifida | Schizonepeta | Lamiaceae | |
Acer triflorum | Acer | Sapindaceae | |
Swertia japonica | Swertia | Gentianaceae |
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Quercus serrata | Quercus | Fagaceae |
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Crateva nurvala | Crateva | Capparaceae |
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Polygala amara | Polygala | Polygalaceae |
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Stephania sutchuenensis | Stephania | Menispermaceae | |
Unonopsis glaucopetala | Unonopsis | Annonaceae | |
Rubus rosa | Rubus | Rosaceae |
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Pleogyne cunninghamii | Pleogyne | Menispermaceae | |
Pyrola decorata | Pyrola | Ericaceae |
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Pleogyne cunninghami | Pleogyne | Menispermaceae | |
Euonymus nanoides | Euonymus | Celastraceae | |
Cerbera dilatata | Cerbera | Apocynaceae | |
Achillea clypeolata | Achillea | Asteraceae | |
Bridelia ferruginea | Bridelia | Phyllanthaceae |
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Berberis julianae | Berberis | Berberidaceae |
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Zieria smithii | Zieria | Rutaceae | |
Bystropogon origanifolius | Bystropogon | Lamiaceae | |
Rhododendron brachycarpum | Rhododendron | Ericaceae |
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Cynanchum auriculatum | Cynanchum | Apocynaceae |
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Helichrysum nitens | Helichrysum | Asteraceae | |
Aconitum leucostomum | Aconitum | Ranunculaceae |
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Euscaphis japonica | Euscaphis | Staphyleaceae |
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Salix japonica | Salix | Salicaceae |
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Senecio sinuatus | Senecio | Asteraceae | |
Aquilegia ecalcarata | Aquilegia | Ranunculaceae |
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Hedysarum multijugum | Hedysarum | Fabaceae |
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Drimia sanguinea | Drimia | Hyacinthaceae |
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Fritillaria thunbergii | Fritillaria | Liliaceae |
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Alangium ridleyi | Alangium | Cornaceae |
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Onopordum anatolicum | Onopordum | Asteraceae |
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Hedysarum denticulatum | Hedysarum | Fabaceae | |
Persea mexicana | Persea | Lauraceae | |
Adiantum caudatum | Adiantum | Pteridaceae |
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Phlomis umbrosa | Phlomis | Lamiaceae |
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Colchicum speciosum | Colchicum | Colchicaceae | |
Plectranthus sylvestris | Plectranthus | Lamiaceae |
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Salvia cana | Salvia | Lamiaceae | |
Dryopteris crassirhizoma | Dryopteris | Dryopteridaceae |
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Bryum weigelii | Bryum | Bryaceae | |
Campsis flos | Campsis | Bignoniaceae | |
Relbunium atherodes | Relbunium | Rubiaceae | |
Walsura chrysogyne | Walsura | Meliaceae | |
Ligularia songarica | Ligularia | Asteraceae | |
Phegopteris bukoensis | Phegopteris | Thelypteridaceae | |
Ziziphus jujuba | Ziziphus | Rhamnaceae |
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Agathosma thymifolia | Agathosma | Rutaceae | |
Jacobaea subalpina | Jacobaea | Asteraceae | |
Phlomis regelii | Phlomis | Lamiaceae | |
Juglans sinensis | Juglans | Juglandaceae |
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Dalea purpurea | Dalea | Fabaceae |
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Gardenia tubifera | Gardenia | Rubiaceae |
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Zaluzianskya capensis | Zaluzianskya | Scrophulariaceae | |
Smilax glabra | Smilax | Smilacaceae |
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Rosa laevigata | Rosa | Rosaceae |
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Panax innovans | Panax | Araliaceae | |
Scapania nemorea | Scapania | Scapaniaceae | |
Diphasiastrum alpinum | Diphasiastrum | Lycopodiaceae | |
Bryum rutilans | Bryum | Bryaceae | |
Blumea mollis | Blumea | Asteraceae |
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Schisandra chinensis | Schisandra | Schisandraceae |
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Perilla frutescens | Perilla | Lamiaceae |
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Plantago cornuti | Plantago | Plantaginaceae |
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Heliomeris multiflora | Heliomeris | Asteraceae | |
Tiliacora triandra | Tiliacora | Menispermaceae |
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Ingredient ID: NPC67909
Formula: C56H42O12
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@H]1[C@H](c2cc(O)cc3c2[C@@H](c2cc(O)cc(c2)O)[C@@H](O3)c2ccc(cc2)O)[C@@H]2[C@H]3[C@]41C=CC(=O)C[C@@H]4Oc1c3c([C@@H]3c4c2cc(O)cc4O[C@H]3c2ccc(cc2)O)cc(c1)O |
Standard InCHI | InChI=1S/C56H42O12/c57-29-7-1-25(2-8-29)52-49(38-18-35(63)21-41-46(38)45(28-15-33(61)17-34(62)16-28)54(67-41)26-3-9-30(58)10-4-26)50-39-19-36(64)22-42-47(39)51(55(68-42)27-5-11-31(59)12-6-27)40-20-37(65)23-43-48(40)53(50)56(52)14-13-32(60)24-44(56)66-43/h1-23,44-45,49-55,57-59,61-65H,24H2/t44-,45+,49+,50+,51+,52-,53-,54-,55-,56+/m0/s1 |
Standard InCHIKey | AFXRWPNKZJBQRJ-MSPKLJCZSA-N |
Ingredient External Links |
PubChem CID: 12192382 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD4004] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC63430
Formula: C34H28O12
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1O[C@]23[C@]([C@H]1c1cc(O)cc4c1[C@@H](c1cc(O)cc(c1)O)[C@@H](O4)c1ccc(cc1)O)(O)C(=O)O[C@@H]3[C@H](CO2)O |
Standard InCHI | InChI=1S/C34H28O12/c35-18-5-1-15(2-6-18)29-26(17-9-20(37)11-21(38)10-17)27-23(12-22(39)13-25(27)44-29)28-30(16-3-7-19(36)8-4-16)46-34-31(24(40)14-43-34)45-32(41)33(28,34)42/h1-13,24,26,28-31,35-40,42H,14H2/t24-,26+,28-,29-,30-,31+,33+,34+/m0/s1 |
Standard InCHIKey | BCXLPQSOXFZGRX-QDOVTSBLSA-N |
Ingredient External Links |
PubChem CID: 101267493 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD170024] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC62469
Formula: C30H48O3
Common Name | n.a. |
IUPAC Name | (1S,2R,4R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4-carboxylic acid |
Canonical SMILES | C[C@@H]1C[C@@H](C(=O)O)C2[C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O |
Standard InCHI | InChI=1S/C30H48O3/c1-17-16-20(26(32)33)19-10-14-29(6)21(25(19)18(17)2)8-9-23-28(5)13-12-24(31)27(3,4)22(28)11-15-30(23,29)7/h8,17-20,22-25,31H,9-16H2,1-7H3,(H,32,33)/t17-,18+,19?,20-,22+,23-,24+,25-,28+,29-,30-/m1/s1 |
Standard InCHIKey | FZRIRHAXJWMMFP-UTQWFWGYSA-N |
Ingredient External Links |
PubChem CID: 49867942 |
Plant-Ingredient Association Reference |
Database: TCMID [33131] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Dolomiaea souliei | Dolomiaea | Asteraceae | |
Gentiana scabra | Gentiana | Gentianaceae |
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Crataegus pinnatifida | Crataegus | Rosaceae |
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Rhodomyrtus tomentosa | Rhodomyrtus | Myrtaceae |
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Uncaria macrophylla | Uncaria | Rubiaceae |
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Ilex pubescens | Ilex | Aquifoliaceae | |
Aquilaria sinensis | Aquilaria | Thymelaeaceae |
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Isodon japonica var. glaucocalyx | Isodon | Lamiaceae | |
Prunella vulgaris | Prunella | Lamiaceae |
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Isodon amethystoides | Isodon | Lamiaceae |
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Rabdosia excisa | Isodon | Lamiaceae |
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Rosa chinensis | Rosa | Rosaceae |
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Diospyros kaki | Diospyros | Ebenaceae |
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Ligustrum lucidum | Ligustrum | Oleaceae |
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Tadehagi triquetrum | Tadehagi | Fabaceae |
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Akebia quinata | Akebia | Lardizabalaceae |
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Rubus idaeus | Rubus | Rosaceae |
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Campsis grandiflora | Campsis | Bignoniaceae |
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Lythrum salicaria | Lythrum | Lythraceae |
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Plantago major | Plantago | Plantaginaceae |
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Forsythia suspensa | Forsythia | Oleaceae |
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Solanum nigrum | Solanum | Solanaceae |
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Isodon pharicus | Isodon | Lamiaceae | |
Eriobotrya japonica | Eriobotrya | Rosaceae |
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Abrus pulchellus | Abrus | Fabaceae |
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Salvia przewalskii | Salvia | Lamiaceae |
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Fagopyrum esculentum | Fagopyrum | Polygonaceae |
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Humulus japonicus | Humulus | Cannabaceae |
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Sorbaria arborea | Sorbaria | Rosaceae | |
Uncaria sinensis | Uncaria | Rubiaceae |
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Scrophularia ningpoensis | Scrophularia | Scrophulariaceae |
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Lagerstroemia speciosa | Lagerstroemia | Lythraceae |
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Gardenia jasminoides | Gardenia | Rubiaceae |
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Catalpa ovata | Catalpa | Bignoniaceae |
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Ingredient ID: NPC57782
Formula: C20H22O8
Common Name | n.a. |
IUPAC Name | (2S,3R,4R,5S,6R)-2-[2,6-dihydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol |
Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(cc1O)/C=C/c1ccc(cc1)O |
Standard InCHI | InChI=1S/C20H22O8/c21-9-15-17(25)18(26)19(27)20(28-15)16-13(23)7-11(8-14(16)24)2-1-10-3-5-12(22)6-4-10/h1-8,15,17-27H,9H2/b2-1+/t15-,17-,18+,19-,20+/m1/s1 |
Standard InCHIKey | URWNDISGXOTRRK-JIVMRSFOSA-N |
Ingredient External Links |
PubChem CID: 101011049 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD87084] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC47132
Formula: C30H48O5
Common Name | n.a. |
IUPAC Name | (1S,2R,4aS,6aS,6aS,6bR,8aS,9S,11R,12aR,14bS)-8a,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,5,6,6a,7,8,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
Canonical SMILES | OC[C@]1(C)C[C@H](O)C[C@]2([C@@]1(O)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2[C@@H](C)[C@@H](CC1)C)C(=O)O)C)C |
Standard InCHI | InChI=1S/C30H48O5/c1-18-9-10-29(24(33)34)13-11-26(4)21(23(29)19(18)2)7-8-22-27(26,5)12-14-30(35)25(3,17-31)15-20(32)16-28(22,30)6/h7,18-20,22-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,19+,20+,22+,23+,25+,26-,27-,28-,29+,30-/m1/s1 |
Standard InCHIKey | XGFDWZLOGKFUGO-NLPSASFTSA-N |
Ingredient External Links |
PubChem CID: 51340198 |
Plant-Ingredient Association Reference |
Database: TCMID [24347] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Centella asiatica | Centella | Apiaceae |
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Ilex pubescens | Ilex | Aquifoliaceae | |
Lagerstroemia speciosa | Lagerstroemia | Lythraceae |
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Ingredient ID: NPC41476
Formula: C9H10O5
Common Name | n.a. |
IUPAC Name | 4-carboxy-2,6-dimethoxyphenolate |
Canonical SMILES | COc1cc(cc(c1[O-])OC)C(=O)O |
Standard InCHI | InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)/p-1 |
Standard InCHIKey | JMSVCTWVEWCHDZ-UHFFFAOYSA-M |
Ingredient External Links |
PubChem CID: 54694262 |
Plant-Ingredient Association Reference |
Database: TCMID [24654] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Geigeria schinzii | Geigeria | Asteraceae | |
Dendrobium chrysanthum | Dendrobium | Orchidaceae |
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Papaver radicatum | Papaver | Papaveraceae | |
Pinus glauca | Pinus | Pinaceae | |
Ophryosporus charua | Ophryosporus | Asteraceae | |
Blainvillea latifolia | Blainvillea | Asteraceae | |
Prosopis kuntzei | Prosopis | Fabaceae |
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Leontice kiangnanensis | Leontice | Berberidaceae | |
Cheilanthes marantae | Cheilanthes | Pteridaceae | |
Leucaena leucocephala | Leucaena | Fabaceae |
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Helichrysum angustifolium | Helichrysum | Asteraceae | |
Ilex pubescens | Ilex | Aquifoliaceae | |
Aquilaria sinensis | Aquilaria | Thymelaeaceae |
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Vitex negundo | Vitex | Lamiaceae |
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Brucea javanica | Brucea | Simaroubaceae |
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Isodon amethystoides | Isodon | Lamiaceae |
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Rabdosia excisa | Isodon | Lamiaceae |
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Rhododendron mucronulatum | Rhododendron | Ericaceae |
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Diospyros kaki | Diospyros | Ebenaceae |
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Tadehagi triquetrum | Tadehagi | Fabaceae |
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Stenocereus thurberi | Stenocereus | Cactaceae |
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Eurycoma sp. | Eurycoma | Simaroubaceae | |
Alhagi maurorum | Alhagi | Fabaceae |
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Microcos paniculata | Microcos | Malvaceae |
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Paeonia veitchii | Paeonia | Paeoniaceae |
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Polyalthia nemoralis | Polyalthia | Annonaceae |
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Pachycereus pringlei | Pachycereus | Cactaceae |
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Isodon serra | Isodon | Lamiaceae | |
Pteris multifida | Pteris | Pteridaceae |
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Morus alba | Morus | Moraceae |
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Bersama swinnyi | Bersama | Melianthaceae | |
Scrophularia ningpoensis | Scrophularia | Scrophulariaceae |
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Goniothalamus undulatus | Goniothalamus | Annonaceae | |
Pteris spinulosa | Pteris | Pteridaceae | |
Nemuaron humboldtii | Nemuaron | Atherospermataceae | |
Lophocereus marginatus | Lophocereus | Cactaceae |
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Helichrysum sutherlandii | Helichrysum | Asteraceae |
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Aralidium pinnatifidum | Aralidium | Torricelliaceae | |
Gardenia jasminoides | Gardenia | Rubiaceae |
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Euphorbia resinifera | Euphorbia | Euphorbiaceae |
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Eurycoma longifolia | Eurycoma | Simaroubaceae |
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Ingredient ID: NPC39123
Formula: C56H42O12
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1c2c(O)cc3c4c2[C@@H]([C@@H]1c1cc(O)cc2c1[C@@H](c1cc(O)cc(c1)O)[C@H](O2)c1ccc(cc1)O)[C@H](c1ccc(cc1)O)c1c([C@H]4[C@@H](O3)c2ccc(cc2)O)cc(cc1O)O |
Standard InCHI | InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-45(26-3-11-31(58)12-4-26)49(53(44)54(51)52)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44-,45+,46-,49-,50-,53-,55-,56+/m1/s1 |
Standard InCHIKey | PXUKGIXMZKRNMI-IDTXHYEZSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD117324] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC35332
Formula: C48H42O14
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)[C@H](c1ccc(cc1)O)[C@@H]1[C@@H]2[C@H](c2ccc(cc2)O)c2c(O)cc(cc2[C@@H]2c3c1cc(O)cc3O[C@H]2c1ccc(cc1)O)O |
Standard InCHI | InChI=1S/C48H42O14/c49-18-33-43(57)45(59)46(60)48(62-33)42-31(56)17-29-39-34(19-1-7-22(50)8-2-19)36-27(13-25(53)15-30(36)55)41-37-28(38(39)35(40(29)44(42)58)20-3-9-23(51)10-4-20)14-26(54)16-32(37)61-47(41)21-5-11-24(52)12-6-21/h1-17,33-35,38-39,41,43,45-60H,18H2/t33-,34-,35-,38-,39+,41-,43-,45+,46-,47+,48+/m1/s1 |
Standard InCHIKey | BMSYJDJSHHZEPU-NYOXRJIESA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD63753] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC303451
Formula: C18H26O11
Common Name | n.a. |
IUPAC Name | methyl (4S,5Z,6S)-5-ethylidene-4-(2-methoxy-2-oxoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate |
Canonical SMILES | COC(=O)C[C@H]1/C(=C/C)/[C@@H](OC=C1C(=O)OC)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C18H26O11/c1-4-8-9(5-12(20)25-2)10(16(24)26-3)7-27-17(8)29-18-15(23)14(22)13(21)11(6-19)28-18/h4,7,9,11,13-15,17-19,21-23H,5-6H2,1-3H3/b8-4-/t9-,11+,13+,14-,15+,17-,18-/m0/s1 |
Standard InCHIKey | KYVUMEGNMQDSHO-ISEXSMSQSA-N |
Ingredient External Links |
PubChem CID: 14038300 ZINC ID: ZINC000031161343 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC303451] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae | |
Ligustrum lucidum | Ligustrum | Oleaceae |
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Ingredient ID: NPC289234
Formula: C56H42O12
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1[C@H]([C@H]2[C@H](c3ccc(cc3)O)c3c(O)cc(cc3[C@@H]3c4c2cc(O)cc4O[C@@H]3c2ccc(cc2)O)O)c2cc(O)cc3c2[C@@H](c2c1c(O)cc(c2)O)[C@H](O3)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46+,51-,52-,53-,54-,55-,56-/m1/s1 |
Standard InCHIKey | YQQUILZPDYJDQJ-ZTUBUNLMSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD197187] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC283823
Formula: C8H8O4
Common Name | n.a. |
IUPAC Name | 3-hydroxy-4-methoxybenzoic acid |
Canonical SMILES | COc1ccc(cc1O)C(=O)O |
Standard InCHI | InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11) |
Standard InCHIKey | LBKFGYZQBSGRHY-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 12575 ZINC ID: ZINC000000402986 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC283823] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Psammosilene tunicoides | Psammosilene | Caryophyllaceae | |
Baccharis grandicapitulata | Baccharis | Asteraceae | |
Renealmia alpinia | Renealmia | Zingiberaceae |
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Morella pensylvanica | Morella | Myricaceae | |
Delphinium giraldii | Delphinium | Ranunculaceae |
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Stellaria media | Stellaria | Caryophyllaceae |
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Asarum heterotropoides | Asarum | Aristolochiaceae | |
Curcuma aeruginosa | Curcuma | Zingiberaceae |
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Piper brachystachyum | Piper | Piperaceae |
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Tephroseris kirilowii | Tephroseris | Asteraceae |
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Cotyledon fimbriata turcz | Cotyledon | Crassulaceae | |
Ilex pubescens | Ilex | Aquifoliaceae | |
Senecio congestus | Senecio | Asteraceae |
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Papaver pseudocanescens | Papaver | Papaveraceae | |
Sideritis dasygnaphala | Sideritis | Lamiaceae | |
Knoxia valerianoides | Knoxia | Rubiaceae |
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Gutierrezia dracunculoides | Gutierrezia | Asteraceae | |
Psidium acutangulum | Psidium | Myrtaceae |
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Beesia calthifolia | Beesia | Ranunculaceae | |
Bursera kerberi | Bursera | Burseraceae | |
Helenium integrifolium | Helenium | Asteraceae | |
Santalum album | Santalum | Santalaceae |
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Rhododendron mucronulatum | Rhododendron | Ericaceae |
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Euonymus fortunei | Euonymus | Celastraceae |
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Phlomis crinita | Phlomis | Lamiaceae |
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Crotalaria stolzii | Crotalaria | Fabaceae | |
Selinum libanotis | Selinum | Apiaceae | |
Melampodium leucanthum | Melampodium | Asteraceae | |
Clerodendrum trichotomum | Clerodendrum | Lamiaceae |
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Juniperus scopulorum | Juniperus | Cupressaceae |
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Clinacanthus nutans | Clinacanthus | Acanthaceae |
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Alstonia angustiloba | Alstonia | Apocynaceae | |
Lasianthaea podocephala | Lasianthaea | Asteraceae | |
Eucalyptus albens | Eucalyptus | Myrtaceae | |
Annona cherimola | Annona | Annonaceae |
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Pellacalyx axillaris | Pellacalyx | Rhizophoraceae | |
Boschniakia rossica | Boschniakia | Orobanchaceae |
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Campsis grandiflora | Campsis | Bignoniaceae |
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Panax notoginseng | Panax | Araliaceae |
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Microcos paniculata | Microcos | Malvaceae |
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Imperata cylindrica | Imperata | Poaceae |
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Jatropha curcas | Jatropha | Euphorbiaceae |
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Coffea liberica var. dewevrei | Coffea | Rubiaceae |
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Botrychium ternatum | Botrychium | Ophioglossaceae |
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Arachis hypogaea | Arachis | Fabaceae |
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Citrus reticulata | Citrus | Rutaceae |
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Ginkgo biloba | Ginkgo | Ginkgoaceae |
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Pteris multifida | Pteris | Pteridaceae |
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Lupinus cosentinii | Lupinus | Fabaceae | |
Hedysarum gmelini | Hedysarum | Fabaceae | |
Scrophularia ningpoensis | Scrophularia | Scrophulariaceae |
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Euploca racemosa | Euploca | Heliotropiaceae | |
Asarum sieboldii | Asarum | Aristolochiaceae |
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Perilla frutescens | Perilla | Lamiaceae |
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Artemisia pectinata | Artemisia | Asteraceae | |
Zephyranthes flava | Zephyranthes | Amaryllidaceae |
Ingredient ID: NPC279908
Formula: C34H28O12
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1O[C@]23[C@]([C@@H]1c1cc(O)cc4c1[C@@H](c1cc(O)cc(c1)O)[C@@H](O4)c1ccc(cc1)O)(O)C(=O)O[C@@H]3[C@@H](CO2)O |
Standard InCHI | InChI=1S/C34H28O12/c35-18-5-1-15(2-6-18)29-26(17-9-20(37)11-21(38)10-17)27-23(12-22(39)13-25(27)44-29)28-30(16-3-7-19(36)8-4-16)46-34-31(24(40)14-43-34)45-32(41)33(28,34)42/h1-13,24,26,28-31,35-40,42H,14H2/t24-,26-,28-,29+,30+,31-,33-,34-/m1/s1 |
Standard InCHIKey | BCXLPQSOXFZGRX-HPZJBWDDSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD6510] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC27917
Formula: C56H42O12
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1c2c(O)cc3c4c2[C@@H]([C@H]1c1cc(O)cc2c1[C@@H](c1cc(O)cc(c1)O)[C@@H](O2)c1ccc(cc1)O)[C@@H](c1ccc(cc1)O)c1c([C@H]4[C@@H](O3)c2ccc(cc2)O)cc(cc1O)O |
Standard InCHI | InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-45(26-3-11-31(58)12-4-26)49(53(44)54(51)52)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44-,45-,46+,49-,50+,53+,55-,56-/m0/s1 |
Standard InCHIKey | PXUKGIXMZKRNMI-NUQILMSPSA-N |
Ingredient External Links |
PubChem CID: 21606287 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD70464] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC277315
Formula: C26H26O12
Common Name | 3,4-O-Trans-Caffeoylquinic Acid Methyl Ester |
IUPAC Name | methyl (1R,3R,4S,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate |
Canonical SMILES | COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(c(c2)O)O)[C@H]([C@@H](C1)O)OC(=O)/C=C/c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24+,26-/m1/s1 |
Standard InCHIKey | PKJBSZTYNDRXEQ-GMGOHGFSSA-N |
Ingredient External Links |
PubChem CID: 10052718 ZINC ID: ZINC000042875886 ChEMBL ID: CHEMBL516541 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC277315] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC265448
Formula: C48H42O14
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(cc1O)[C@H]1c2c(O)cc3c4c2[C@@H]([C@@H]1c1ccc(cc1)O)[C@@H](c1ccc(cc1)O)c1c([C@@H]4[C@H](O3)c2ccc(cc2)O)cc(cc1O)O |
Standard InCHI | InChI=1S/C48H42O14/c49-18-33-44(58)45(59)46(60)48(62-33)39-28(54)13-22(14-29(39)55)36-34(19-1-7-23(50)8-2-19)42-35(20-3-9-24(51)10-4-20)37-27(15-26(53)16-30(37)56)38-41-32(17-31(57)40(36)43(41)42)61-47(38)21-5-11-25(52)12-6-21/h1-17,33-36,38,42,44-60H,18H2/t33-,34-,35+,36-,38+,42+,44-,45+,46-,47-,48-/m1/s1 |
Standard InCHIKey | ZVPJOUFYHCELLC-YJFQOMCJSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD131515] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC263591
Formula: C28H22O7
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1Oc2c3[C@H]1c1cc(O)cc(c1[C@@H]([C@H](c3cc(c2)O)O)c1ccc(cc1)O)O |
Standard InCHI | InChI=1S/C28H22O7/c29-15-5-1-13(2-6-15)23-24-19(9-17(31)11-21(24)33)26-25-20(27(23)34)10-18(32)12-22(25)35-28(26)14-3-7-16(30)8-4-14/h1-12,23,26-34H/t23-,26+,27-,28-/m0/s1 |
Standard InCHIKey | LHUHHURKGTUZHU-OSPRVTPDSA-N |
Ingredient External Links |
PubChem CID: 10814213 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD21091] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC263334
Formula: C13H20O3
Common Name | n.a. |
IUPAC Name | (4R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one |
Canonical SMILES | C[C@@H](/C=C/[C@]1(O)C(=CC(=O)CC1(C)C)C)O |
Standard InCHI | InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m0/s1 |
Standard InCHIKey | KPQMCAKZRXOZLB-BXQPDHIASA-N |
Ingredient External Links |
PubChem CID: 11816951 ZINC ID: ZINC000004096339 |
Plant-Ingredient Association Reference |
Database: TCMID [22599] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Passiflora edulis | Passiflora | Passifloraceae |
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Rubus alceifolius | Rubus | Rosaceae |
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Houttuynia cordata | Houttuynia | Saururaceae |
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Ilex pubescens | Ilex | Aquifoliaceae | |
Ligusticum sinense | Ligusticum | Apiaceae |
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Akebia quinata | Akebia | Lardizabalaceae |
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Murraya paniculata | Murraya | Rutaceae |
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Strychnos nux-vomica | Strychnos | Loganiaceae |
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Prunus armeniaca | Prunus | Rosaceae |
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Myrica nagi | Myrica | Myricaceae |
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Litsea glutinosa | Litsea | Lauraceae |
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Ziziphus jujuba | Ziziphus | Rhamnaceae |
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Ingredient ID: NPC259888
Formula: C40H42O16
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(cc1O)[C@@H]1[C@@H](c2ccc(cc2)O)/C(=Cc2ccc(cc2)O)/c2c1c(O)c(c(c2)O)[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C40H42O16/c41-13-25-32(48)35(51)37(53)39(55-25)30-22(45)10-17(11-23(30)46)28-27(16-3-7-19(44)8-4-16)20(9-15-1-5-18(43)6-2-15)21-12-24(47)31(34(50)29(21)28)40-38(54)36(52)33(49)26(14-42)56-40/h1-12,25-28,32-33,35-54H,13-14H2/b20-9-/t25-,26-,27+,28-,32-,33-,35+,36+,37-,38-,39-,40-/m1/s1 |
Standard InCHIKey | HYDHYXXMXHPISD-LHPZLNMLSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD77997] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC244225
Formula: C21H16O7
Common Name | n.a. |
IUPAC Name | (5R,6S)-1,3,5,7,9-pentahydroxy-6-(4-hydroxyphenyl)-5,6-dihydrodibenzo[2,1-[7]annulen-11-one |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1[C@@H](O)c2cc(O)cc(c2C(=O)c2c1c(O)cc(c2)O)O |
Standard InCHI | InChI=1S/C21H16O7/c22-10-3-1-9(2-4-10)17-18-13(5-11(23)7-15(18)25)21(28)19-14(20(17)27)6-12(24)8-16(19)26/h1-8,17,20,22-27H/t17-,20-/m0/s1 |
Standard InCHIKey | QLUPKRIWOVDUPU-PXNSSMCTSA-N |
Ingredient External Links |
PubChem CID: 21606292 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD96504] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC23896
Formula: C40H42O16
Common Name | n.a. |
IUPAC Name | (2S,3R,4R,5S,6R)-2-[2,6-dihydroxy-4-[(2R,3R)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydro-1-benzofuran-3-yl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol |
Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc(c2c1O[C@H]([C@@H]2c1cc(O)c(c(c1)O)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)c1ccc(cc1)O)/C=C/c1ccc(cc1)O |
Standard InCHI | InChI=1S/C40H42O16/c41-14-25-31(48)33(50)35(52)39(54-25)29-22(45)12-19(13-23(29)46)28-27-18(4-1-16-2-7-20(43)8-3-16)11-24(47)30(40-36(53)34(51)32(49)26(15-42)55-40)38(27)56-37(28)17-5-9-21(44)10-6-17/h1-13,25-26,28,31-37,39-53H,14-15H2/b4-1+/t25-,26-,28-,31-,32-,33+,34+,35-,36-,37+,39+,40+/m1/s1 |
Standard InCHIKey | JVUSROPMPWEDQI-HBUKWEMCSA-N |
Ingredient External Links |
PubChem CID: 101011050 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD69911] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC233886
Formula: C56H42O12
Common Name | Hemsleyanol D |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1c2c(O)cc3c4c2[C@@H]([C@H]1c1cc(O)cc2c1[C@@H](c1cc(O)cc(c1)O)[C@@H](O2)c1ccc(cc1)O)[C@@H](c1ccc(cc1)O)c1c([C@@H]4[C@H](O3)c2ccc(cc2)O)cc(cc1O)O |
Standard InCHI | InChI=1S/C56H42O12/c57-30-9-1-25(2-10-30)44-47-38(20-36(63)22-40(47)65)50-52-43(68-56(50)28-7-15-33(60)16-8-28)24-41(66)51-45(26-3-11-31(58)12-4-26)49(53(44)54(51)52)39-21-37(64)23-42-48(39)46(29-17-34(61)19-35(62)18-29)55(67-42)27-5-13-32(59)14-6-27/h1-24,44-46,49-50,53,55-66H/t44-,45-,46+,49-,50-,53+,55-,56+/m0/s1 |
Standard InCHIKey | PXUKGIXMZKRNMI-VCEXAHOOSA-N |
Ingredient External Links |
PubChem CID: 21606288 ChEMBL ID: CHEMBL1939277 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD13037] Database: NPASS [NPC233886] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC225240
Formula: C30H50O2
Common Name | n.a. |
IUPAC Name | (3S,6aR,6bS,8aS,11R,12S,12aS,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol |
Canonical SMILES | OC[C@@]12CC[C@H]([C@@H]([C@H]2C2=CCC3[C@@]([C@@]2(CC1)C)(C)CCC1[C@]3(C)CC[C@@H](C1(C)C)O)C)C |
Standard InCHI | InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22?,23?,24+,25+,27+,28-,29-,30-/m1/s1 |
Standard InCHIKey | XUARCIYIVXVTAE-AZUMOFOVSA-N |
Ingredient External Links |
PubChem CID: 6708704 |
Plant-Ingredient Association Reference |
Database: TCMID [22272] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Rubus alceifolius | Rubus | Rosaceae |
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Ilex pubescens | Ilex | Aquifoliaceae | |
Diospyros kaki | Diospyros | Ebenaceae |
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Ingredient ID: NPC224921
Formula: C56H42O12
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@H]1[C@H]([C@H]2[C@H](c3ccc(cc3)O)c3c(O)cc(cc3[C@@H]3c4c2cc(O)cc4O[C@H]3c2ccc(cc2)O)O)c2cc(O)cc3c2[C@@H](c2c1c(O)cc(c2)O)[C@@H](O3)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46-,51-,52-,53-,54-,55+,56+/m1/s1 |
Standard InCHIKey | YQQUILZPDYJDQJ-KGDQSQJYSA-N |
Ingredient External Links |
PubChem CID: 44334030 ChEMBL ID: CHEMBL384120 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD11916] Database: NPASS [NPC224921] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ipomoea digitata | Ipomoea | Convolvulaceae |
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Annona cornifolia | Annona | Annonaceae |
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Salvia syriaca | Salvia | Lamiaceae | |
Solanum laxum | Solanum | Solanaceae |
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Eucalyptus melliodora | Eucalyptus | Myrtaceae | |
Scutellaria amoena | Scutellaria | Lamiaceae |
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Goniothalamus malayanus | Goniothalamus | Annonaceae | |
Pastinaca sativa | Pastinaca | Apiaceae |
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Lysimachia mauritiana | Lysimachia | Primulaceae | |
Ilex pubescens | Ilex | Aquifoliaceae | |
Swertia franchetiana | Swertia | Gentianaceae |
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Helipterum roseum | Helipterum | Asteraceae | |
Hedysarum connatum | Hedysarum | Fabaceae | |
Zanthoxylum tetraspermum | Zanthoxylum | Rutaceae |
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Artemisia assoana | Artemisia | Asteraceae | |
Dumortiera hirsuta | Dumortiera | Dumortieraceae |
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Lepisorus ussuriensis | Lepisorus | Polypodiaceae |
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Alstonia spathulata | Alstonia | Apocynaceae | |
Phoebe pittieri | Phoebe | Lauraceae | |
Hypericum laricifolium | Hypericum | Hypericaceae |
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Vitis vinifera | Vitis | Vitaceae |
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Adiantum lunulatum | Adiantum | Pteridaceae |
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Peltostigma guatemalense | Peltostigma | Rutaceae | |
Acacia adunca | Acacia | Fabaceae | |
Viguiera incana | Viguiera | Asteraceae | |
Astragalus sempervirens | Astragalus | Fabaceae | |
Marrubium anisodon | Marrubium | Lamiaceae |
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Wikstroemia retusa | Wikstroemia | Thymelaeaceae | |
Naucleopsis ternstroemiiflora | Naucleopsis | Moraceae | |
Rumex maritimus | Rumex | Polygonaceae |
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Chaenomeles sinensis | Chaenomeles | Rosaceae |
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Calostephane divaricata | Calostephane | Asteraceae | |
Vaccinium oxycoccos | Vaccinium | Ericaceae |
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Caragana aurantiaca | Caragana | Fabaceae | |
Premna odorata | Premna | Lamiaceae |
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Cotyledon secunda | Cotyledon | Crassulaceae | |
Aconitum burnatii | Aconitum | Ranunculaceae | |
Rauvolfia vomitoria | Rauvolfia | Apocynaceae |
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Gnetum latifolium | Gnetum | Gnetaceae |
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Ingredient ID: NPC20394
Formula: C54H52O21
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@@H]1O[C@H](Oc2c(O)cc3c(c2O)[C@H](c2ccc(cc2)O)[C@@H]2[C@H]3[C@@H](c3ccc(cc3)O)c3c2c2c(c(c3O)O[C@H]3O[C@@H](CO)[C@@H]([C@H]([C@@H]3O)O)O)O[C@@H]([C@H]2c2cc(O)cc(c2)O)c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C54H52O21/c55-17-30-41(63)45(67)47(69)53(71-30)74-50-29(62)16-28-35-32(19-1-7-23(57)8-2-19)39-38(37(35)33(36(28)43(50)65)20-3-9-24(58)10-4-20)40-34(22-13-26(60)15-27(61)14-22)49(21-5-11-25(59)12-6-21)73-51(40)52(44(39)66)75-54-48(70)46(68)42(64)31(18-56)72-54/h1-16,30-35,37,41-42,45-49,53-70H,17-18H2/t30-,31-,32+,33-,34-,35+,37+,41-,42-,45+,46+,47-,48-,49+,53+,54+/m0/s1 |
Standard InCHIKey | PUTLTNNNCKZPIS-BAYWTTQQSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD81619] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC201130
Formula: C48H40O14
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@@H]1O[C@H](Oc2cc3O[C@H]([C@H]4c3c(c2)[C@@H]2[C@H](Oc3c2c(cc(c3)O)[C@H]2c3c4cc(O)cc3O[C@@H]2c2ccc(cc2)O)c2ccc(cc2)O)c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C48H40O14/c49-19-35-42(55)43(56)44(57)48(62-35)58-28-17-31-38-34(18-28)61-46(21-3-9-24(51)10-4-21)40(38)29-13-26(53)15-32-36(29)39(45(59-32)20-1-7-23(50)8-2-20)30-14-27(54)16-33-37(30)41(31)47(60-33)22-5-11-25(52)12-6-22/h1-18,35,39-57H,19H2/t35-,39-,40+,41-,42-,43+,44-,45+,46-,47+,48-/m0/s1 |
Standard InCHIKey | VIVONGHCNYVJQJ-KVBJREMISA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD126651] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC197598
Formula: C25H32O13
Common Name | n.a. |
IUPAC Name | methyl (4S,5Z,6R)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate |
Canonical SMILES | OC[C@H]1O[C@@H](O[C@H]2OC=C([C@H](/C/2=C/C)CC(=O)OCCc2ccc(c(c2)O)O)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3-/t14-,18+,20+,21-,22+,24+,25-/m0/s1 |
Standard InCHIKey | RFWGABANNQMHMZ-AGKURNLASA-N |
Ingredient External Links |
PubChem CID: 53297357 |
Plant-Ingredient Association Reference |
Database: TCMID [16070] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Fraxinus ornus | Fraxinus | Oleaceae |
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Ilex pubescens | Ilex | Aquifoliaceae | |
Fraxinus chinensis | Fraxinus | Oleaceae |
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Euodia bodinieri | Euodia | Rutaceae | |
Ligustrum lucidum | Ligustrum | Oleaceae |
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Tetradium ruticarpum | Tetradium | Rutaceae |
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Olea europaea | Olea | Oleaceae |
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Fraxinus stylosa | Fraxinus | Oleaceae |
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Euodia officinalis | Euodia | Rutaceae | |
Euodia ruticarpa | Euodia | Rutaceae | |
Fraxinus szaboana | Fraxinus | Oleaceae |
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Ingredient ID: NPC187590
Formula: C34H32O12
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c3c1O[C@H]([C@@H]3c1cc(O)cc(c1[C@H]([C@@H]2O)c1ccc(cc1)O)O)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C34H32O12/c35-12-22-29(42)30(43)31(44)34(45-22)27-21(40)11-19-26-25(32(46-33(26)27)14-3-7-16(37)8-4-14)18-9-17(38)10-20(39)24(18)23(28(19)41)13-1-5-15(36)6-2-13/h1-11,22-23,25,28-32,34-44H,12H2/t22-,23-,25-,28-,29-,30+,31-,32+,34+/m1/s1 |
Standard InCHIKey | JYHKRXOVGPPGFZ-VCDXIBAJSA-N |
Ingredient External Links |
PubChem CID: 21606290 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD140968] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC157081
Formula: C56H42O12
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1c2c(O)cc3c(c2[C@@H]2[C@H]1c1c([C@H]2c2ccc(cc2)O)c(O)cc2c1[C@@H](c1cc(O)cc(c1)O)[C@@H](O2)c1ccc(cc1)O)[C@@H](c1cc(O)cc(c1)O)[C@@H](O3)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C56H42O12/c57-31-9-1-25(2-10-31)43-47-39(65)23-41-49(45(29-17-35(61)21-36(62)18-29)55(67-41)27-5-13-33(59)14-6-27)53(47)52-44(26-3-11-32(58)12-4-26)48-40(66)24-42-50(54(48)51(43)52)46(30-19-37(63)22-38(64)20-30)56(68-42)28-7-15-34(60)16-8-28/h1-24,43-46,51-52,55-66H/t43-,44-,45-,46-,51+,52+,55+,56+/m1/s1 |
Standard InCHIKey | HEIKOEZNFLUAEJ-OAPWRRNMSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD195692] Database: NPASS [NPC157081] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC154495
Formula: C54H52O19
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)[C@@H](c1ccc(cc1)O)[C@H]1[C@@H]2[C@H](c2ccc(cc2)O)c2c1c1c(c(c2O)[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)O[C@H]([C@@H]1c1cc(O)cc(c1)O)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C54H52O19/c55-17-30-43(63)47(67)49(69)53(71-30)37-29(62)16-28-35-32(19-1-7-23(57)8-2-19)40-39(38(35)33(36(28)45(37)65)20-3-9-24(58)10-4-20)41-34(22-13-26(60)15-27(61)14-22)51(21-5-11-25(59)12-6-21)73-52(41)42(46(40)66)54-50(70)48(68)44(64)31(18-56)72-54/h1-16,30-35,38,43-44,47-51,53-70H,17-18H2/t30-,31-,32+,33-,34-,35+,38+,43-,44-,47+,48+,49-,50-,51+,53+,54+/m1/s1 |
Standard InCHIKey | AKCFNGPKGXQHGR-FCWAMTDYSA-N |
Ingredient External Links |
PubChem CID: 101073880 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD171130] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC143216
Formula: C28H22O7
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@H]1Oc2c3[C@H]1c1cc(O)cc(c1[C@H]([C@@H](c3cc(c2)O)O)c1ccc(cc1)O)O |
Standard InCHI | InChI=1S/C28H22O7/c29-15-5-1-13(2-6-15)23-24-19(9-17(31)11-21(24)33)26-25-20(27(23)34)10-18(32)12-22(25)35-28(26)14-3-7-16(30)8-4-14/h1-12,23,26-34H/t23-,26-,27-,28-/m1/s1 |
Standard InCHIKey | LHUHHURKGTUZHU-NHMNHLDDSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD61727] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC140548
Formula: C48H42O15
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@@H]1O[C@H](Oc2c(O)cc3c(c2O)[C@H](c2ccc(cc2)O)[C@@H]2[C@@H]3[C@@H](c3ccc(cc3)O)c3c(O)cc(cc3[C@@H]3c4c2cc(O)cc4O[C@H]3c2ccc(cc2)O)O)[C@H]([C@@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C48H42O15/c49-18-33-42(57)44(59)45(60)48(62-33)63-47-31(56)17-29-39-34(19-1-7-22(50)8-2-19)36-27(13-25(53)15-30(36)55)41-37-28(38(39)35(40(29)43(47)58)20-3-9-23(51)10-4-20)14-26(54)16-32(37)61-46(41)21-5-11-24(52)12-6-21/h1-17,33-35,38-39,41-42,44-46,48-60H,18H2/t33-,34-,35+,38+,39-,41+,42-,44+,45-,46-,48+/m0/s1 |
Standard InCHIKey | JCTCOEJDOHBILP-RCCLMXHUSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD108924] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC132321
Formula: C42H32O10
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1[C@H](O)c2c3c(O[C@H]([C@@H]3c3cc(O)cc(c3)O)c3ccc(cc3)O)cc3c2[C@H](c2c1c(O)cc(c2)O)[C@H](O3)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C42H32O10/c43-23-7-1-19(2-8-23)33-35-29(16-28(48)17-30(35)49)36-38-32(52-42(36)21-5-11-25(45)12-6-21)18-31-37(39(38)40(33)50)34(22-13-26(46)15-27(47)14-22)41(51-31)20-3-9-24(44)10-4-20/h1-18,33-34,36,40-50H/t33-,34+,36-,40-,41-,42+/m0/s1 |
Standard InCHIKey | AJCLKMHOIJLHRB-HDAHUXPASA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD149350] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC12988
Formula: C56H42O12
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@@H]1[C@H]([C@H]2[C@@H](c3ccc(cc3)O)c3c(O)cc(cc3[C@@H]3c4c2cc(O)cc4O[C@H]3c2ccc(cc2)O)O)c2cc(O)cc3c2[C@@H](c2c1c(O)cc(c2)O)[C@@H](O3)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C56H42O12/c57-29-9-1-25(2-10-29)45-47-37(17-33(61)21-41(47)65)53-49-39(19-35(63)23-43(49)67-55(53)27-5-13-31(59)14-6-27)51(45)52-40-20-36(64)24-44-50(40)54(56(68-44)28-7-15-32(60)16-8-28)38-18-34(62)22-42(66)48(38)46(52)26-3-11-30(58)12-4-26/h1-24,45-46,51-66H/t45-,46-,51+,52+,53+,54+,55-,56-/m0/s1 |
Standard InCHIKey | YQQUILZPDYJDQJ-BYEDDOOPSA-N |
Ingredient External Links |
PubChem CID: 24094096 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD122053] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC12847
Formula: C40H42O18
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@@H]1O[C@H](Oc2c(O)cc(cc2O)[C@H]2[C@@H](Oc3c2c(/C=C/c2ccc(cc2)O)cc(c3O[C@H]2O[C@@H](CO)[C@@H]([C@H]([C@@H]2O)O)O)O)c2ccc(cc2)O)[C@H]([C@@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C40H42O18/c41-14-25-29(48)31(50)33(52)39(54-25)57-36-22(45)12-19(13-23(36)46)28-27-18(4-1-16-2-7-20(43)8-3-16)11-24(47)37(38(27)56-35(28)17-5-9-21(44)10-6-17)58-40-34(53)32(51)30(49)26(15-42)55-40/h1-13,25-26,28-35,39-53H,14-15H2/b4-1+/t25-,26-,28+,29-,30-,31+,32+,33-,34-,35-,39+,40+/m0/s1 |
Standard InCHIKey | OVDSSAYYLGUVSO-UDILDNGLSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD90378] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC120840
Formula: C32H50O4
Common Name | Acetyl Oleanolic Acid |
IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
Canonical SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C)C |
Standard InCHI | InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1 |
Standard InCHIKey | RIXNFYQZWDGQAE-DFHVBEEKSA-N |
Ingredient External Links |
PubChem CID: 151202 ZINC ID: ZINC000003964583 ChEMBL ID: CHEMBL486822 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC120840] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ligustrum japonicus | Ligustrum | Oleaceae | |
Barleria acanthoides | Barleria | Acanthaceae |
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Ilex pubescens | Ilex | Aquifoliaceae | |
Phyllosma capensis | Phyllosma | Rutaceae | |
Proustia ilicifolia | Proustia | Asteraceae | |
Marrubium globosum | Marrubium | Lamiaceae | |
Euodia bodinieri | Euodia | Rutaceae | |
Uncaria sessilifructus | Uncaria | Rubiaceae |
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Pyrus pyrifolia | Pyrus | Rosaceae |
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Ligustrum lucidum | Ligustrum | Oleaceae |
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Aloe nobilis | Aloe | Asphodelaceae | |
Hexalobus crispiflorus | Hexalobus | Annonaceae |
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Tsuga heterophylla | Tsuga | Pinaceae |
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Euodia lunu-ankenda | Euodia | Rutaceae | |
Boschniakia rossica | Boschniakia | Orobanchaceae |
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Forsythia viridissima | Forsythia | Oleaceae |
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Tetradium ruticarpum | Tetradium | Rutaceae |
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Forsythia suspensa | Forsythia | Oleaceae |
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Hyperbaena columbica | Hyperbaena | Menispermaceae | |
Persicaria filiformis | Persicaria | Polygonaceae | |
Euptelea polyandra | Euptelea | Eupteleaceae |
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Primula integrifolia | Primula | Primulaceae | |
Cordia elaeagnoides | Cordia | Cordiaceae | |
Viburnum grandifolium | Viburnum | Adoxaceae | |
Rubia cordifolia | Rubia | Rubiaceae |
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Adenocarpus hispanicus | Adenocarpus | Fabaceae | |
Eysenhardtia platycarpa | Eysenhardtia | Fabaceae | |
Campylopus clavatus | Campylopus | Leucobryaceae | |
Viola odorata | Viola | Violaceae |
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Cissus tricuspidata | Cissus | Vitaceae | |
Rhododendron maximum | Rhododendron | Ericaceae | |
Acritopappus longifolius | Acritopappus | Asteraceae | |
Sarracenia flava | Sarracenia | Sarraceniaceae |
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Radermachera xylocarpa | Radermachera | Bignoniaceae |
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Virola oleifera | Virola | Myristicaceae |
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Aralia continentalis | Aralia | Araliaceae |
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Echinops kebericho | Echinops | Asteraceae |
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Anemone narcissiflora | Anemone | Ranunculaceae |
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Euodia officinalis | Euodia | Rutaceae | |
Coprosma australis | Coprosma | Rubiaceae |
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Isodon leucophyllus | Isodon | Lamiaceae |
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Ptelea viscosa | Ptelea | Rutaceae | |
Stylotrichium rotundifolium | Stylotrichium | Asteraceae | |
Euodia ruticarpa | Euodia | Rutaceae | |
Tasmannia lanceolata | Tasmannia | Winteraceae |
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Asclepias curassavica | Asclepias | Apocynaceae |
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Ingredient ID: NPC115875
Formula: C42H32O10
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | Oc1ccc(cc1)[C@H]1[C@@H](O)c2c3c(O[C@@H]([C@H]3c3cc(O)cc(c3)O)c3ccc(cc3)O)cc3c2[C@@H](c2c1c(O)cc(c2)O)[C@@H](O3)c1ccc(cc1)O |
Standard InCHI | InChI=1S/C42H32O10/c43-23-7-1-19(2-8-23)33-35-29(16-28(48)17-30(35)49)36-38-32(52-42(36)21-5-11-25(45)12-6-21)18-31-37(39(38)40(33)50)34(22-13-26(46)15-27(47)14-22)41(51-31)20-3-9-24(44)10-4-20/h1-18,33-34,36,40-50H/t33-,34+,36-,40-,41-,42+/m1/s1 |
Standard InCHIKey | AJCLKMHOIJLHRB-JHTHUSCRSA-N |
Ingredient External Links |
PubChem CID: 10842394 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD136751] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC113961
Formula: C76H52O46
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | O=C(c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)O[C@H]1[C@H](COC(=O)c2cc(O)c(c(c2)OC(=O)c2cc(O)c(c(c2)O)O)O)O[C@@H]([C@H]([C@@H]1OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O)OC(=O)c1cc(O)c(c(c1)OC(=O)c1cc(O)c(c(c1)O)O)O |
Standard InCHI | InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m0/s1 |
Standard InCHIKey | LRBQNJMCXXYXIU-QWKBTXIPSA-N |
Ingredient External Links |
PubChem CID: 16133892 |
Plant-Ingredient Association Reference |
Database: TCMID [32746] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Sargentodoxa cuneata | Sargentodoxa | Lardizabalaceae |
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Albizia julibrissin | Albizia | Fabaceae |
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Trachycarpus fortunei | Trachycarpus | Arecaceae |
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Thalictrum foliolosum | Thalictrum | Ranunculaceae |
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Selaginella tamariscina | Selaginella | Selaginellaceae |
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Ilex pubescens | Ilex | Aquifoliaceae | |
Citrus wilsonii | Citrus | Rutaceae |
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Sambucus williamsii | Sambucus | Adoxaceae |
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Gleditsia sinensis | Gleditsia | Fabaceae |
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Bistorta officinalis | Bistorta | Polygonaceae |
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Pteris multifida | Pteris | Pteridaceae |
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Hibiscus syriacus | Hibiscus | Malvaceae |
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Desmodium styracifolium | Desmodium | Fabaceae |
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Swertia hickinii | Swertia | Gentianaceae | |
Picrorhiza kurrooa | Picrorhiza | Plantaginaceae |
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Ingredient ID: NPC112866
Formula: C30H48O3
Common Name | n.a. |
IUPAC Name | (4R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4-carboxylic acid |
Canonical SMILES | OC(=O)[C@@H]1CC(C)(C)C[C@@H]2C1CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](C1(C)C)O)C |
Standard InCHI | InChI=1S/C30H48O3/c1-26(2)16-19-18(20(17-26)25(32)33)10-14-29(6)21(19)8-9-23-28(5)13-12-24(31)27(3,4)22(28)11-15-30(23,29)7/h8,18-20,22-24,31H,9-17H2,1-7H3,(H,32,33)/t18?,19-,20-,22+,23-,24+,28+,29-,30-/m1/s1 |
Standard InCHIKey | AOWMBRPPHGNFDX-HPPBOAITSA-N |
Ingredient External Links |
PubChem CID: 49867939 |
Plant-Ingredient Association Reference |
Database: TCMID [23101] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Paederia scandens | Paederia | Rubiaceae |
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Styrax benzoin | Styrax | Styracaceae |
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Rhodomyrtus tomentosa | Rhodomyrtus | Myrtaceae |
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Pyrola japonica | Pyrola | Ericaceae |
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Ilex pubescens | Ilex | Aquifoliaceae | |
Swertia franchetiana | Swertia | Gentianaceae |
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Oldenlandia diffusa | Oldenlandia | Rubiaceae |
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Isodon japonica var. glaucocalyx | Isodon | Lamiaceae | |
Viscum articulatum | Viscum | Viscaceae |
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Astrantia major | Astrantia | Apiaceae |
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Prunella vulgaris | Prunella | Lamiaceae |
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Phytolacca americana | Phytolacca | Phytolaccaceae |
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Rosa chinensis | Rosa | Rosaceae |
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Diospyros kaki | Diospyros | Ebenaceae |
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Ligustrum lucidum | Ligustrum | Oleaceae |
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Aristolochia manshuriensis | Aristolochia | Aristolochiaceae |
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Akebia quinata | Akebia | Lardizabalaceae |
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Boschniakia rossica | Boschniakia | Orobanchaceae |
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Rubus idaeus | Rubus | Rosaceae |
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Lythrum salicaria | Lythrum | Lythraceae |
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Swertia leducii | Swertia | Gentianaceae | |
Patrinia scabiosifolia | Patrinia | Caprifoliaceae |
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Plantago major | Plantago | Plantaginaceae |
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Forsythia suspensa | Forsythia | Oleaceae |
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Isodon henryi | Isodon | Lamiaceae | |
Polyalthia nemoralis | Polyalthia | Annonaceae |
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Beta vulgaris | Beta | Chenopodiaceae |
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Eriobotrya japonica | Eriobotrya | Rosaceae |
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Chaenomeles sinensis | Chaenomeles | Rosaceae |
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Gentiana dahurica | Gentiana | Gentianaceae |
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Olea europaea | Olea | Oleaceae |
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Prunus mume | Prunus | Rosaceae |
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Loranthus parasiticus | Loranthus | Loranthaceae |
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Agastache rugosus | Agastache | Lamiaceae |
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Syzygium aromaticum | Syzygium | Myrtaceae |
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Lagerstroemia speciosa | Lagerstroemia | Lythraceae |
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Myristica fragrans | Myristica | Myristicaceae |
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Viscum album | Viscum | Viscaceae |
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Swertia mussotii | Swertia | Gentianaceae |
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Ingredient ID: NPC112820
Formula: C40H42O18
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@@H]1O[C@H](Oc2c(O)cc(cc2O)[C@@H]2c3c(/C(=C/c4ccc(cc4)O)/[C@H]2c2ccc(cc2)O)cc(c(c3O)O[C@H]2O[C@@H](CO)[C@@H]([C@H]([C@@H]2O)O)O)O)[C@H]([C@@H]([C@H]1O)O)O |
Standard InCHI | InChI=1S/C40H42O18/c41-13-25-30(48)33(51)35(53)39(55-25)57-37-22(45)10-17(11-23(37)46)28-27(16-3-7-19(44)8-4-16)20(9-15-1-5-18(43)6-2-15)21-12-24(47)38(32(50)29(21)28)58-40-36(54)34(52)31(49)26(14-42)56-40/h1-12,25-28,30-31,33-36,39-54H,13-14H2/b20-9-/t25-,26-,27+,28-,30-,31-,33+,34+,35-,36-,39+,40+/m0/s1 |
Standard InCHIKey | DBEMSKGLAXPNQZ-MFTMFLDGSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD16640] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID: NPC101775
Formula: C48H40O14
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | OC[C@H]1O[C@@H](Oc2cc3O[C@H]([C@@H]4c3c(c2)[C@H]2[C@H](Oc3c2c(cc(c3)O)[C@@H]2c3c4cc(O)cc3O[C@H]2c2ccc(cc2)O)c2ccc(cc2)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O |
Standard InCHI | InChI=1S/C48H40O14/c49-19-35-42(55)43(56)44(57)48(62-35)58-28-17-31-38-34(18-28)61-46(21-3-9-24(51)10-4-21)40(38)29-13-26(53)15-32-36(29)39(45(59-32)20-1-7-23(50)8-2-20)30-14-27(54)16-33-37(30)41(31)47(60-33)22-5-11-25(52)12-6-22/h1-18,35,39-57H,19H2/t35-,39-,40+,41-,42-,43+,44-,45+,46+,47-,48-/m1/s1 |
Standard InCHIKey | VIVONGHCNYVJQJ-SRPHEQKLSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD157227] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Ilex pubescens | Ilex | Aquifoliaceae |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC101775 | C48H40O14 | 840.241806 | -5.5149 | 5.2 | 4.676 | 14 | 9 | 228.22 | 6 | 11 | 62 | 1 | |
NPC112820 | C40H42O18 | 810.2371145 | -6.907 | 3.88 | 0.639 | 18 | 14 | 320.14 | 9 | 7 | 58 | 1 | |
NPC112866 | C30H48O3 | (4R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4-carboxylic acid | 456.3603454 | 2.535 | 4.43 | 9.359 | 3 | 2 | 57.53 | 1 | 5 | 33 | 1 |
NPC113961 | C76H52O46 | 1700.172974 | -12.6304 | 4.76 | 2.662 | 16 | 25 | 777.98 | 31 | 11 | 122 | 3 | |
NPC115875 | C42H32O10 | 696.1995472 | -4.5345 | 4.98 | 4.766 | 10 | 8 | 180.3 | 4 | 9 | 52 | 1 | |
NPC120840 | C32H50O4 | Acetyl Oleanolic Acid | 498.37 | 2.5089 | 4.54 | 9.792 | 4 | 1 | 63.6 | 12 | 5 | 36 | 1 |
NPC12847 | C40H42O18 | 810.2371145 | -6.5835 | 3.88 | 1.222 | 18 | 13 | 309.14 | 10 | 7 | 58 | 1 | |
NPC12988 | C56H42O12 | 906.2676268 | -5.5386 | 8.118 | 12 | 10 | 0 | 12 | 68 | 0 | |||
NPC132321 | C42H32O10 | 696.1995472 | -4.5345 | 4.98 | 4.766 | 10 | 8 | 180.3 | 4 | 9 | 52 | 1 | |
NPC140548 | C48H42O15 | 858.2523706 | -6.4898 | 5.09 | 4.119 | 15 | 12 | 270.45 | 6 | 10 | 63 | 1 | |
NPC143216 | C28H22O7 | 470.136553 | -3.2785 | 3.77 | 2.838 | 7 | 6 | 130.61 | 2 | 6 | 35 | 1 | |
NPC154495 | C54H52O19 | 1004.310279 | -8.754 | 2.04 | 19 | 16 | 0 | 11 | 73 | 0 | |||
NPC157081 | C56H42O12 | 906.27 | -5.5386 | 6.3 | 8.118 | 0 | 10 | 220.76 | 16 | 12 | 68 | 2 | |
NPC187590 | C34H32O12 | 632.1893765 | -5.5142 | 3.88 | 0.763 | 12 | 10 | 220.76 | 4 | 7 | 46 | 1 | |
NPC197598 | C25H32O13 | methyl (4S,5Z,6R)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate | 540.1842911 | -2.5956 | 2.78 | 0.18 | 11 | 6 | 201.67 | 11 | 3 | 38 | 3 |
NPC201130 | C48H40O14 | 840.241806 | -5.5149 | 5.2 | 4.676 | 14 | 9 | 228.22 | 6 | 11 | 62 | 1 | |
NPC20394 | C54H52O21 | 1036.300109 | -8.697 | 2.048 | 21 | 16 | 0 | 11 | 75 | 0 | |||
NPC224921 | C56H42O12 | 906.27 | -5.5386 | 6.3 | 8.118 | 0 | 10 | 220.76 | 15 | 12 | 68 | 2 | |
NPC225240 | C30H50O2 | (3S,6aR,6bS,8aS,11R,12S,12aS,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol | 442.3810808 | 1.2749 | 4.54 | 9.261 | 2 | 2 | 40.46 | 1 | 5 | 32 | 1 |
NPC233886 | C56H42O12 | Hemsleyanol D | 906.27 | -5.5386 | 6.3 | 8.118 | 0 | 10 | 220.76 | 16 | 12 | 68 | 2 |
NPC23896 | C40H42O16 | 778.2472853 | -6.6405 | 4.1 | 1.214 | 16 | 13 | 290.68 | 8 | 7 | 56 | 1 | |
NPC244225 | C21H16O7 | 380.0896029 | -3.2069 | 3 | 0.599 | 7 | 6 | 138.45 | 1 | 4 | 28 | 1 | |
NPC259888 | C40H42O16 | 778.2472853 | -6.964 | 4.1 | 0.631 | 16 | 14 | 301.68 | 7 | 7 | 56 | 1 | |
NPC263334 | C13H20O3 | (4R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one | 224.1412445 | 0.7559 | 2.56 | 0.644 | 3 | 2 | 57.53 | 2 | 1 | 16 | 0 |
NPC263591 | C28H22O7 | 470.136553 | -3.2785 | 3.77 | 2.838 | 7 | 6 | 130.61 | 2 | 6 | 35 | 1 | |
NPC265448 | C48H42O14 | 842.257456 | -6.5183 | 5.2 | 4.115 | 14 | 12 | 261.22 | 6 | 10 | 62 | 1 | |
NPC277315 | C26H26O12 | 3,4-O-Trans-Caffeoylquinic Acid Methyl Ester | 530.14 | -2.1355 | 3 | 1.406 | 8 | 6 | 200.28 | 17 | 3 | 38 | 1 |
NPC27917 | C56H42O12 | 906.2676268 | -5.5386 | 8.118 | 12 | 10 | 0 | 12 | 68 | 0 | |||
NPC279908 | C34H28O12 | 628.1580763 | -4.3956 | 3.88 | 1.804 | 12 | 7 | 195.6 | 4 | 8 | 46 | 1 | |
NPC283823 | C8H8O4 | 168.0422587 | -0.7519 | 1.9 | 0.626 | 2 | 2 | 66.76 | 5 | 1 | 12 | 0 | |
NPC289234 | C56H42O12 | 906.2676268 | -5.5386 | 8.118 | 12 | 10 | 0 | 12 | 68 | 0 | |||
NPC303451 | C18H26O11 | 418.1475117 | -1.8399 | 2.23 | -0.956 | 11 | 4 | 161.21 | 15 | 2 | 29 | 1 | |
NPC35332 | C48H42O14 | 842.257456 | -6.5183 | 5.2 | 4.115 | 14 | 12 | 261.22 | 5 | 10 | 62 | 1 | |
NPC39123 | C56H42O12 | 906.2676268 | -5.5386 | 8.118 | 12 | 10 | 0 | 12 | 68 | 0 | |||
NPC41476 | C9H10O5 | 4-carboxy-2,6-dimethoxyphenolate | 197.0449984 | -1.1375 | 1.9 | 0.182 | 2 | 1 | 78.82 | 3 | 1 | 14 | 0 |
NPC47132 | C30H48O5 | (1S,2R,4aS,6aS,6aS,6bR,8aS,9S,11R,12aR,14bS)-8a,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-1,2,3,4,5,6,6a,7,8,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | 488.3501746 | 0.1292 | 4.21 | 6.286 | 5 | 4 | 97.99 | 2 | 5 | 35 | 1 |
NPC57782 | C20H22O8 | 390.1314677 | -3.1488 | 2.78 | 1.361 | 8 | 7 | 150.84 | 4 | 3 | 28 | 1 | |
NPC62469 | C30H48O3 | (1S,2R,4R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,10,11,12,13,14b-hexadecahydropicene-4-carboxylic acid | 456.3603454 | 1.211 | 4.43 | 9.261 | 3 | 2 | 57.53 | 1 | 5 | 33 | 1 |
NPC63430 | C34H28O12 | 628.1580763 | -4.3956 | 3.88 | 1.804 | 12 | 7 | 195.6 | 4 | 8 | 46 | 1 | |
NPC67909 | C56H42O12 | 906.2676268 | -5.0602 | 6.927 | 12 | 8 | 0 | 13 | 68 | 0 | |||
NPC71074 | C30H48O4 | Corosolic Acid | 472.36 | 1.2611 | 4.32 | 8.142 | 4 | 3 | 77.76 | 11 | 5 | 34 | 1 |
NPC71686 | C42H30O9 | 678.19 | -3.768 | 5.09 | 5.784 | 0 | 6 | 149.07 | 9 | 10 | 51 | 2 | |
NPC76939 | C42H32O9 | 680.2046326 | -4.2826 | 5.09 | 6.19 | 0 | 8 | 171.07 | 4 | 9 | 51 | 2 | |
NPC80466 | C35H54O7 | (2S,4aS,6aR,6aS,6bR,8aR,10S,12aR)-10-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-2H-picene-4a-carboxylic acid | 586.3869541 | 0.8343 | 4.54 | 7.927 | 7 | 4 | 116.45 | 4 | 6 | 42 | 1 |
NPC84024 | C35H58O6 | (2S,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 574.4233396 | -0.4903 | 4.65 | 9.963 | 6 | 4 | 99.38 | 8 | 5 | 41 | 1 |