23 Known Ingredients in Total
Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.
8 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC97444
Formula: C4H6O6
Ingredient ID: NPC97444
| Common Name | Tartrate |
| IUPAC Name | (2R,3R)-2,3-dihydroxybutanedioic acid |
| Canonical SMILES | O[C@H]([C@H](C(=O)O)O)C(=O)O |
| Standard InCHI | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 |
| Standard InCHIKey | FEWJPZIEWOKRBE-JCYAYHJZSA-N |
| Ingredient External Links |
PubChem CID: 444305 ChEMBL ID: CHEMBL1236315 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC97444] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rauvolfia tetraphylla | Rauvolfia | Apocynaceae |
 |
| Ipomoea digitata | Ipomoea | Convolvulaceae |
 |
| Passiflora incarnata | Passiflora | Passifloraceae |
  |
| Flacourtia jangomas | Flacourtia | Salicaceae |
|
| Annona cornifolia | Annona | Annonaceae |
|
| Polygonum cuspidatum | Polygonum | Polygonaceae |
|
| Alstonia muelleriana | Alstonia | Apocynaceae | |
| Salvia syriaca | Salvia | Lamiaceae | |
| Aloe vera | Aloe | Xanthorrhoeaceae |
|
| Onobrychis arenaria | Onobrychis | Fabaceae | |
| Solanum laxum | Solanum | Solanaceae |
|
| Dacrydium cupressinum | Dacrydium | Podocarpaceae |
|
| Eria mollis | Eria | Orchidaceae | |
| Dysoxylum cumingianum | Dysoxylum | Meliaceae | |
| Psychotria stachyoides | Psychotria | Rubiaceae | |
| Ampelopsis japonica | Ampelopsis | Vitaceae |
|
| Dodonaea viscosa | Dodonaea | Sapindaceae |
|
| Cornus officinalis | Cornus | Cornaceae |
|
| Trigonella grandiflora | Trigonella | Fabaceae | |
| Eucalyptus melliodora | Eucalyptus | Myrtaceae | |
| Nicotiana undulata | Nicotiana | Solanaceae | |
| Scutellaria amoena | Scutellaria | Lamiaceae |
|
| Teucrium yemense | Teucrium | Lamiaceae | |
| Goniothalamus malayanus | Goniothalamus | Annonaceae | |
| Neobalanocarpus heimii | Neobalanocarpus | Dipterocarpaceae | |
| Pastinaca sativa | Pastinaca | Apiaceae |
|
| Aconitum tasiromontanum | Aconitum | Ranunculaceae | |
| Narcissus concolor | Narcissus | Amaryllidaceae | |
| Dendriopoterium menendezii | Dendriopoterium | Rosaceae | |
| Adansonia grandidieri | Adansonia | Malvaceae |
|
| Physalis alkekengi | Physalis | Solanaceae |
|
| Artemisia cina | Artemisia | Asteraceae |
|
| Lysimachia mauritiana | Lysimachia | Primulaceae | |
| Aphyllocladus denticulatus | Aphyllocladus | Asteraceae | |
| Bassia muricata | Bassia | Chenopodiaceae |
|
| Stevia salicifolia | Stevia | Asteraceae | |
| Swertia franchetiana | Swertia | Gentianaceae |
|
| Aloe ferox | Aloe | Asphodelaceae |
|
| Senecio subdentatus | Senecio | Asteraceae | |
| Hippophae rhamnoides | Hippophae | Elaeagnaceae |
|
| Helipterum roseum | Helipterum | Asteraceae | |
| Aconitum seravschanicum | Aconitum | Ranunculaceae | |
| Hedysarum connatum | Hedysarum | Fabaceae | |
| Zanthoxylum tetraspermum | Zanthoxylum | Rutaceae |
|
| Artemisia assoana | Artemisia | Asteraceae | |
| Dumortiera hirsuta | Dumortiera | Dumortieraceae |
|
| Pterocaulon rugosum | Pterocaulon | Asteraceae | |
| Lepisorus ussuriensis | Lepisorus | Polypodiaceae |
|
| Alstonia spathulata | Alstonia | Apocynaceae | |
| Phoebe pittieri | Phoebe | Lauraceae | |
| Codonopsis pilosula | Codonopsis | Campanulaceae |
|
| Hypericum laricifolium | Hypericum | Hypericaceae |
|
| Vitis vinifera | Vitis | Vitaceae |
|
| Adiantum lunulatum | Adiantum | Pteridaceae |
|
| Peltostigma guatemalense | Peltostigma | Rutaceae | |
| Acacia adunca | Acacia | Fabaceae | |
| Viguiera incana | Viguiera | Asteraceae | |
| Astragalus sempervirens | Astragalus | Fabaceae | |
| Marrubium anisodon | Marrubium | Lamiaceae |
|
| Wikstroemia retusa | Wikstroemia | Thymelaeaceae | |
| Naucleopsis ternstroemiiflora | Naucleopsis | Moraceae | |
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Tripolium pannonicum | Tripolium | Asteraceae | |
| Empetrum nigrum | Empetrum | Ericaceae |
|
| Salvia prionitis | Salvia | Lamiaceae |
|
| Coreopsis nodosa | Coreopsis | Asteraceae | |
| Jateorhiza palmata | Jateorhiza | Menispermaceae |
|
| Ephedra lomatolepis | Ephedra | Ephedraceae | |
| Croton ruizianus | Croton | Euphorbiaceae | |
| Picradeniopsis oppositifolia | Picradeniopsis | Asteraceae | |
| Uvaria calamistrata | Uvaria | Annonaceae |
|
| Tetraria capillaris | Tetraria | Cyperaceae | |
| Maytenus guianensis | Maytenus | Celastraceae | |
| Saussurea triangulata | Saussurea | Asteraceae | |
| Phleum africanum | Phleum | Poaceae | |
| Lindera umbellata | Lindera | Lauraceae |
|
| Stephania succifera | Stephania | Menispermaceae |
|
| Clausena indica | Clausena | Rutaceae |
|
| Gentiana olivieri | Gentiana | Gentianaceae |
|
| Vernonia serratuloides | Vernonia | Asteraceae | |
| Ardisia macrocarpa | Ardisia | Primulaceae |
|
| Chlorophytum malayense | Chlorophytum | Asparagaceae |
|
| Gnetum cleistostachyum | Gnetum | Gnetaceae | |
| Justicia secunda | Justicia | Acanthaceae | |
| Haematococcus lacustris | Haematococcus | Haematococcaceae | |
| Pinus thunbergii | Pinus | Pinaceae |
|
| Teucrium alyssifolium | Teucrium | Lamiaceae | |
| Orthosiphon stamineus | Orthosiphon | Lamiaceae |
|
| Senecio grandiflorus | Senecio | Asteraceae | |
| Zephyranthes carinata | Zephyranthes | Amaryllidaceae |
|
| Angelica ursina | Angelica | Apiaceae |
|
| Pinus halepensis | Pinus | Pinaceae |
|
| Satureja montana | Satureja | Lamiaceae |
|
| Oxytropis muricata | Oxytropis | Fabaceae | |
| Adesmia boronioides | Adesmia | Fabaceae |
|
| Rumex maritimus | Rumex | Polygonaceae |
|
| Cordylanthus kingii | Cordylanthus | Orobanchaceae | |
| Aster sedifolius | Aster | Asteraceae | |
| Chaenomeles sinensis | Chaenomeles | Rosaceae |
|
| Annona impressivenia | Annona | Annonaceae | |
| Aloe spicata | Aloe | Asphodelaceae |
|
| Prunus mume | Prunus | Rosaceae |
|
| Alseodaphne corneri | Alseodaphne | Lauraceae | |
| Thymus piperella | Thymus | Lamiaceae |
|
| Forsteronia refracta | Forsteronia | Apocynaceae | |
| Eragrostis viscosa | Eragrostis | Poaceae |
|
| Nauclea officinalis | Nauclea | Rubiaceae |
|
| Grewia mollis | Grewia | Malvaceae |
|
| Heterotheca grandiflora | Heterotheca | Asteraceae | |
| Croton cumingii | Croton | Euphorbiaceae |
|
| Bersama yangambiensis | Bersama | Melianthaceae | |
| Ruta pinnata | Ruta | Rutaceae |
|
| Disynaphia halimifolia | Disynaphia | Asteraceae | |
| Kaunia saltensis | Kaunia | Asteraceae | |
| Heliotropium floridum | Heliotropium | Heliotropiaceae | |
| Castanopsis sclerophylla | Castanopsis | Fagaceae |
|
| Gymnocarpium robertianum | Gymnocarpium | Cystopteridaceae | |
| Oncoba echinata | Oncoba | Salicaceae | |
| Salvia dorrii | Salvia | Lamiaceae | |
| Juglans nigra | Juglans | Juglandaceae |
|
| Teucrium depressum | Teucrium | Lamiaceae | |
| Mangifera indica | Mangifera | Anacardiaceae |
|
| Aconitum nevadense | Aconitum | Ranunculaceae | |
| Trichilia rubescens | Trichilia | Meliaceae | |
| Conocephalum japonicum | Conocephalum | Conocephalaceae | |
| Hovenia acerba | Hovenia | Rhamnaceae |
|
| Stevia polycephala | Stevia | Asteraceae | |
| Pogostemon cablin | Pogostemon | Lamiaceae |
|
| Sophora angustifolia | Sophora | Fabaceae | |
| Kaempferia marginata | Kaempferia | Zingiberaceae |
|
| Aloe africana | Aloe | Xanthorrhoeaceae |
|
| Lavandula vera | Lavandula | Lamiaceae |
|
| Fridericia chica | Fridericia | Bignoniaceae |
|
| Euonymus maackii | Euonymus | Celastraceae | |
| Calostephane divaricata | Calostephane | Asteraceae | |
| Doodia picta | Doodia | Blechnaceae | |
| Artemisia chinensis | Artemisia | Asteraceae |
|
| Glycine tomentella | Glycine | Fabaceae |
|
| Morus yunnanensis | Morus | Moraceae | |
| Vaccinium oxycoccos | Vaccinium | Ericaceae |
|
| Caragana aurantiaca | Caragana | Fabaceae | |
| Panax schinseng | Panax | Araliaceae | |
| Nicotiana gossei | Nicotiana | Solanaceae |
|
| Premna odorata | Premna | Lamiaceae |
|
| Senna tora | Senna | Fabaceae |
|
| Senecio paludaffinis | Senecio | Asteraceae | |
| Enceliopsis argophylla | Enceliopsis | Asteraceae | |
| Cotyledon secunda | Cotyledon | Crassulaceae | |
| Rauvolfia vomitoria | Rauvolfia | Apocynaceae |
|
| Gnetum latifolium | Gnetum | Gnetaceae |
|
| Miliusa velutina | Miliusa | Annonaceae |
|
Ingredient ID: NPC86148
Formula: C19H20N2O
Ingredient ID: NPC86148
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | C/C=C1/CN2[C@@H]3[C@H]([C@H]1C[C@H]2c1c(C3)c2c([nH]1)cccc2)C=O |
| Standard InCHI | InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13-,15-,17-,18-/m0/s1 |
| Standard InCHIKey | MHASSCPGKAMILD-MIOJWWSHSA-N |
| Ingredient External Links |
PubChem CID: 11335328 |
| Plant-Ingredient Association Reference |
Database: TCMID [22352] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Alstonia yunnanensis | Alstonia | Apocynaceae |
|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
Ingredient ID: NPC81654
Formula: C21H26N2O3.ClH
Ingredient ID: NPC81654
| Common Name | n.a. |
| IUPAC Name | hydron;methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;chloride |
| Canonical SMILES | COC(=O)C1C(O)CCC2C1CC1N(C2)CCc2c1[nH]c1c2cccc1.Cl |
| Standard InCHI | InChI=1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H |
| Standard InCHIKey | PIPZGJSEDRMUAW-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5458953; 12304060; 74259030; 77419080 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC81654] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Rauvolfia vomitoria | Rauvolfia | Apocynaceae |
|
Ingredient ID: NPC51843
Formula: C4H8N2O2
Ingredient ID: NPC51843
| Common Name | n.a. |
| IUPAC Name | (1Z,3E)-1,4-diaminobuta-1,3-diene-1,4-diolate |
| Canonical SMILES | [O-]/C(=C/C=C(/N)[O-])/N |
| Standard InCHI | InChI=1S/C4H8N2O2/c5-3(7)1-2-4(6)8/h1-2,7-8H,5-6H2/p-2/b3-1-,4-2+ |
| Standard InCHIKey | GBGBFESMVVCWBU-HSFFGMMNSA-L |
| Ingredient External Links |
PubChem CID: 53338995 |
| Plant-Ingredient Association Reference |
Database: TCMID [23475] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cistanche deserticola | Cistanche | Orobanchaceae |
|
| Cirsium setosum | Cirsium | Asteraceae |
|
| Changium smyrnioides | Changium | Apiaceae |
|
| Citrus wilsonii | Citrus | Rutaceae |
|
| Rosa chinensis | Rosa | Rosaceae |
|
| Diospyros kaki | Diospyros | Ebenaceae |
|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Lygodium japonicum | Lygodium | Lygodiaceae |
|
| Levisticum officinale | Levisticum | Apiaceae |
|
| Chaenomeles sinensis | Chaenomeles | Rosaceae |
|
| Annona squamosa | Annona | Annonaceae |
|
| Pyrus communis | Pyrus | Rosaceae |
|
| Salvia miltiorrhiza | Salvia | Lamiaceae |
|
| Smilax glabra | Smilax | Smilacaceae |
|
| Schizonepeta tenuifolia | Schizonepeta | Lamiaceae |
|
Ingredient ID: NPC315634
Formula: C33H40N2O9
Ingredient ID: NPC315634
| Common Name | Methyl 6,18-Dimethoxy-17-(3,4,5-Trimethoxybenzoyl)Oxy-1,3,11,12,14,15,16,17,18,19,20,21-Dodecahydroyohimban-19-Carboxylate |
| IUPAC Name | methyl 6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
| Canonical SMILES | COc1ccc2c(c1)[nH]c1c2CCN2C1CC1C(C2)CC(C(C1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3 |
| Standard InCHIKey | QEVHRUUCFGRFIF-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5052 ChEMBL ID: CHEMBL357497 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC315634] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Alstonia yunnanensis | Alstonia | Apocynaceae |
|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Catharanthus roseus | Catharanthus | Apocynaceae |
|
| Rauvolfia serpentina | Rauvolfia | Apocynaceae |
|
| Rauvolfia vomitoria | Rauvolfia | Apocynaceae |
|
Ingredient ID: NPC313985
Formula: C21H26N2O3
Ingredient ID: NPC313985
| Common Name | Methyl 18-Hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-Dodecahydroyohimban-19-Carboxylate |
| IUPAC Name | methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
| Canonical SMILES | COC(=O)C1C(O)CCC2C1CC1N(C2)CCc2c1[nH]c1c2cccc1 |
| Standard InCHI | InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3 |
| Standard InCHIKey | BLGXFZZNTVWLAY-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 2866 ChEMBL ID: CHEMBL1531132 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC313985] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Rauvolfia serpentina | Rauvolfia | Apocynaceae |
|
| Rauvolfia vomitoria | Rauvolfia | Apocynaceae |
|
Ingredient ID: NPC304351
Formula: C23H30O5
Ingredient ID: NPC304351
| Common Name | n.a. |
| IUPAC Name | (1'R,2R,4R,5'S)-5,7-dihydroxy-6',6'-dimethyl-4-(2-methylpropyl)spiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.1]heptane]-6,8-dicarbaldehyde |
| Canonical SMILES | O=Cc1c2O[C@]3(CC[C@@H]4C[C@H]3C4(C)C)C[C@H](c2c(c(c1O)C=O)O)CC(C)C |
| Standard InCHI | InChI=1S/C23H30O5/c1-12(2)7-13-9-23(6-5-14-8-17(23)22(14,3)4)28-21-16(11-25)19(26)15(10-24)20(27)18(13)21/h10-14,17,26-27H,5-9H2,1-4H3/t13-,14-,17+,23-/m1/s1 |
| Standard InCHIKey | SULUCYRQUAHFJK-NNKAPNPISA-N |
| Ingredient External Links |
PubChem CID: 44558995 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC304351] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Eucalyptus albens | Eucalyptus | Myrtaceae | |
| Pueraria montana var. lobata | Pueraria | Fabaceae |
|
Ingredient ID: NPC303096
Formula: C31H36N2O8
Ingredient ID: NPC303096
| Common Name | n.a. |
| IUPAC Name | methyl (1R,15S,17R,18R,19S,20S)-18-hydroxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
| Canonical SMILES | COC(=O)[C@@H]1[C@@H](O)[C@@H](C[C@H]2[C@@H]1C[C@H]1N(C2)CCc2c1[nH]c1c2cccc1)OC(=O)c1cc(OC)c(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C31H36N2O8/c1-37-24-11-16(12-25(38-2)29(24)39-3)30(35)41-23-13-17-15-33-10-9-19-18-7-5-6-8-21(18)32-27(19)22(33)14-20(17)26(28(23)34)31(36)40-4/h5-8,11-12,17,20,22-23,26,28,32,34H,9-10,13-15H2,1-4H3/t17-,20+,22-,23-,26+,28+/m1/s1 |
| Standard InCHIKey | UGMYHMZSPHJQHL-UTYXIPFNSA-N |
| Ingredient External Links |
PubChem CID: 251566 |
| Plant-Ingredient Association Reference |
Database: TCMID [18537] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Aegiceras corniculatum | Aegiceras | Primulaceae |
|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
Ingredient ID: NPC294909
Formula: C21H24N2O3
Ingredient ID: NPC294909
| Common Name | Rauwolfia Serpentina |
| IUPAC Name | n.a. |
| Canonical SMILES | COC(=O)C1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1)C |
| Standard InCHI | InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1 |
| Standard InCHIKey | GRTOGORTSDXSFK-XJTZBENFSA-N |
| Ingredient External Links |
PubChem CID: 441975 ZINC ID: ZINC000053147422 ChEMBL ID: CHEMBL123325 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC294909] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Ixeris chinensis | Ixeris | Asteraceae |
|
| Mitragyna speciosa | Mitragyna | Rubiaceae |
|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Penstemon gentianoides | Penstemon | Plantaginaceae |
|
| Uncaria africana | Uncaria | Rubiaceae |
|
| Anthyllis onobrychoides | Anthyllis | Fabaceae | |
| Atropa belladonna | Atropa | Solanaceae |
|
| Sarcococca saligna | Sarcococca | Buxaceae |
|
| Knautia montana | Knautia | Caprifoliaceae | |
| Uncaria elliptica | Uncaria | Rubiaceae |
|
| Catharanthus roseus | Catharanthus | Apocynaceae |
|
| Picris conyzoides | Picris | Asteraceae | |
| Rauvolfia serpentina | Rauvolfia | Apocynaceae |
|
| Euphorbia pannonica | Euphorbia | Euphorbiaceae | |
| Cryptocarya lividula | Cryptocarya | Lauraceae |
Ingredient ID: NPC265786
Formula: C20H26N2O2
Ingredient ID: NPC265786
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CC[C@H]1[C@@H]2C[C@@H]3N([C@@H]1O)[C@@H]1C2[C@@H](O)[C@]2([C@H]3[N+](C)c3c2cccc3)C1 |
| Standard InCHI | InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/p+1/t10-,11-,14-,15-,16?,17-,18+,19+,20+/m0/s1 |
| Standard InCHIKey | CJDRUOGAGYHKKD-HEFSZTOGSA-O |
| Ingredient External Links |
PubChem CID: 45266687 |
| Plant-Ingredient Association Reference |
Database: TCMID [784] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Rauvolfia serpentina | Rauvolfia | Apocynaceae |
|
| Rauvolfia vomitoria | Rauvolfia | Apocynaceae |
|
Ingredient ID: NPC261003
Formula: C21H24N2O4
Ingredient ID: NPC261003
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1ccc2c(c1)c1CCN3C(c1[nH]2)CC1C(C3)COC=C1C(=O)OC |
| Standard InCHI | InChI=1S/C21H24N2O4/c1-25-13-3-4-18-16(7-13)14-5-6-23-9-12-10-27-11-17(21(24)26-2)15(12)8-19(23)20(14)22-18/h3-4,7,11-12,15,19,22H,5-6,8-10H2,1-2H3 |
| Standard InCHIKey | SDFSXHNINVZAOL-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5319994 |
| Plant-Ingredient Association Reference |
Database: TCMID [1680] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Cinchona calisaya | Cinchona | Rubiaceae |
|
| Rauvolfia vomitoria | Rauvolfia | Apocynaceae |
|
Ingredient ID: NPC257188
Formula: C14H12O3
Ingredient ID: NPC257188
| Common Name | Xanthyletin |
| IUPAC Name | 2,2-dimethylpyrano[3,2-g]chromen-8-one |
| Canonical SMILES | CC1(C)C=Cc2c(O1)cc1c(c2)ccc(=O)o1 |
| Standard InCHI | InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3 |
| Standard InCHIKey | QOTBQNVNUBKJMS-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 65188 ZINC ID: ZINC000000338304 ChEMBL ID: CHEMBL303846 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC257188] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Angelica gigas | Angelica | Apiaceae |
|
| Citrus hassaku | Citrus | Rutaceae | |
| Aphelandra chamissoniana | Aphelandra | Acanthaceae | |
| Citrus aurantiifolia | Citrus | Rutaceae |
|
| Bryopsis pennata | Bryopsis | Bryopsidaceae | |
| Pseudotsuga japonica | Pseudotsuga | Pinaceae | |
| Plumbago zeylanica | Plumbago | Plumbaginaceae |
|
| Luvunga scandens | Luvunga | Rutaceae |
|
| Uncaria perrottetii | Uncaria | Rubiaceae |
|
| Chromolaena odorata | Chromolaena | Asteraceae |
|
| Strychnos henningsii | Strychnos | Loganiaceae |
|
| Aconitum tanguticum | Aconitum | Ranunculaceae |
|
| Ilex affinis | Ilex | Aquifoliaceae |
|
| Acanthophyllum sordidum | Acanthophyllum | Caryophyllaceae | |
| Citrus tamurana | Citrus | Rutaceae | |
| Anaxagorea clavata | Anaxagorea | Annonaceae | |
| Vernonia scorpioides | Vernonia | Asteraceae | |
| Anagallis arvensis | Anagallis | Primulaceae |
|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Polyalthia stenopetala | Polyalthia | Annonaceae | |
| Citrus tankan | Citrus | Rutaceae |
|
| Roemeria refracta | Roemeria | Papaveraceae | |
| Bougainvillea glabra | Bougainvillea | Nyctaginaceae |
|
| Stenostomum lucidum | Stenostomum | Rubiaceae | |
| Beyeria brevifolia | Beyeria | Euphorbiaceae | |
| Kaempferia pulchra | Kaempferia | Zingiberaceae |
|
| Drosera peltata | Drosera | Droseraceae |
|
| Zanthoxylum ailanthoides | Zanthoxylum | Rutaceae |
|
| Arnica nevadensis | Arnica | Asteraceae | |
| Odixia angusta | Odixia | Asteraceae | |
| Prunus laurocerasus | Prunus | Rosaceae |
|
| Citrus rugulosa | Citrus | Rutaceae | |
| Ficus formosana | Ficus | Moraceae |
|
| Dipterocarpus alatus | Dipterocarpus | Dipterocarpaceae |
|
| Echinops amplexicaulis | Echinops | Asteraceae |
|
| Quercus aegilops | Quercus | Fagaceae |
|
| Chloranthus tianmushanensis | Chloranthus | Chloranthaceae | |
| Boenninghausenia albiflora | Boenninghausenia | Rutaceae |
|
| Prosopis glandulosa | Prosopis | Fabaceae |
|
| Aria pallescens | Aria | Rosaceae | |
| Simira eliezeriana | Simira | Rubiaceae | |
| Senecio squalidus | Senecio | Asteraceae |
|
| Araujia sericifera | Araujia | Apocynaceae |
|
| Artemisia monogyna | Artemisia | Asteraceae | |
| Epaltes gariepina | Epaltes | Asteraceae | |
| Seriphidium cinum | Seriphidium | Asteraceae |
|
| Dendrosenecio kilimanjari | Dendrosenecio | Asteraceae | |
| Isodon kameba | Isodon | Lamiaceae |
|
| Pterocarpus grandiflorus | Pterocarpus | Fabaceae | |
| Citrus reticulata | Citrus | Rutaceae |
|
| Chromolaena pulchella | Chromolaena | Asteraceae | |
| Bursaria spinosa | Bursaria | Pittosporaceae |
|
| Taxodium mucronatum | Taxodium | Cupressaceae |
|
| Gardenia fosbergii | Gardenia | Rubiaceae | |
| Vitex madiensis | Vitex | Lamiaceae |
|
| Agnorhiza bolanderi | Agnorhiza | Asteraceae | |
| Panax spinosus | Panax | Araliaceae | |
| Euphorbia hirta | Euphorbia | Euphorbiaceae |
|
| Aconitum habaense | Aconitum | Ranunculaceae | |
| Cirsium canum | Cirsium | Asteraceae | |
| Sesbania punicea | Sesbania | Fabaceae | |
| Zanthoxylum americanum | Zanthoxylum | Rutaceae |
|
| Strophanthus hispidus | Strophanthus | Apocynaceae |
|
| Citrus limon | Citrus | Rutaceae |
|
| Ruta graveolens | Ruta | Rutaceae |
|
| Salvia officinalis | Salvia | Lamiaceae |
|
| Podocarpus henckelii | Podocarpus | Podocarpaceae | |
| Securidaca inappendiculata | Securidaca | Polygalaceae |
|
| Pteris prolifera | Pteris | Pteridaceae | |
| Opuntia vulgaris | Opuntia | Cactaceae |
|
| Piper hancei | Piper | Piperaceae |
|
| Rosa transmorrisonensis | Rosa | Rosaceae | |
| Bauhinia racemosa | Bauhinia | Fabaceae |
|
| Salvia lasiantha | Salvia | Lamiaceae |
Ingredient ID: NPC22999
Formula: C3H4N2O
Ingredient ID: NPC22999
| Common Name | n.a. |
| IUPAC Name | 1,3-oxazol-4-amine |
| Canonical SMILES | Nc1cocn1 |
| Standard InCHI | InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2 |
| Standard InCHIKey | NXWFZLSDGBWCMN-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 21655019 |
| Plant-Ingredient Association Reference |
Database: TCMID [23865] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Chaenomeles sinensis | Chaenomeles | Rosaceae |
|
| Euonymus alatus | Euonymus | Celastraceae |
|
| Salvia miltiorrhiza | Salvia | Lamiaceae |
|
Ingredient ID: NPC219597
Formula: C26H29NO5
Ingredient ID: NPC219597
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)[C@H]1CN3CCCC[C@@H]3[C@@H](C1)OC(=O)/C=Cc1cc2c(O)cc1 |
| Standard InCHI | InChI=1S/C26H29NO5/c1-30-24-13-18-17-12-23(21-5-3-4-10-27(21)15-17)32-26(29)9-7-16-6-8-22(28)20(11-16)19(18)14-25(24)31-2/h6-9,11,13-14,17,21,23,28H,3-5,10,12,15H2,1-2H3/b9-7-/t17-,21-,23-/m1/s1 |
| Standard InCHIKey | UBSAECZDGDZVCX-CZRXUGQMSA-N |
| Ingredient External Links |
PubChem CID: 11953946 |
| Plant-Ingredient Association Reference |
Database: TCMID [22417] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
Ingredient ID: NPC218834
Formula: C33H42O19
Ingredient ID: NPC218834
| Common Name | n.a. |
| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Canonical SMILES | Oc1ccc(cc1)C1Oc2cc(O[C@@H]3O[C@@H](C)[C@@H]([C@H]([C@H]3O)O)O)cc(c2C(=O)C1O[C@@H]1O[C@H](COC2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O)O |
| Standard InCHI | InChI=1S/C33H42O19/c1-10-19(36)23(40)26(43)31(47-10)46-9-17-21(38)25(42)28(45)33(51-17)52-30-22(39)18-15(35)7-14(49-32-27(44)24(41)20(37)11(2)48-32)8-16(18)50-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24+,25-,26+,27+,28+,29?,30?,31?,32-,33-/m0/s1 |
| Standard InCHIKey | DGMFTMYFKFVGRL-XMDANHEKSA-N |
| Ingredient External Links |
PubChem CID: 44558988 |
| Plant-Ingredient Association Reference |
Database: TCMID [18844] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Acacia mearnsii | Acacia | Fabaceae |
|
| Pueraria montana var. lobata | Pueraria | Fabaceae |
|
Ingredient ID: NPC199986
Formula: C47H58N6O16
Ingredient ID: NPC199986
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@H]1O[C@@H](Oc2ccc3cc2Oc2ccc(cc2)C[C@H]2C(=NC(C3OC(=O)C)C(=NC(C)C(=NC(C)C(=O)N(C(C(=N[C@H](C(=O)N2C)C)O)Cc2ccc(cc2)OC)C)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C47H58N6O16/c1-22-41(59)49-23(2)45(63)52(5)31(18-26-8-13-29(65-7)14-9-26)42(60)50-24(3)46(64)53(6)32-19-27-10-15-30(16-11-27)67-34-20-28(40(66-25(4)55)36(44(62)48-22)51-43(32)61)12-17-33(34)68-47-39(58)38(57)37(56)35(21-54)69-47/h8-17,20,22-24,31-32,35-40,47,54,56-58H,18-19,21H2,1-7H3,(H,48,62)(H,49,59)(H,50,60)(H,51,61)/t22?,23?,24-,31?,32-,35+,36?,37+,38-,39+,40?,47+/m0/s1 |
| Standard InCHIKey | WQXPDCSSMUFLBC-WUWYLGKPSA-N |
| Ingredient External Links |
PubChem CID: 5320896 |
| Plant-Ingredient Association Reference |
Database: TCMID [31902] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
Ingredient ID: NPC199393
Formula: C22H28N2O4
Ingredient ID: NPC199393
| Common Name | n.a. |
| IUPAC Name | [(1R,15S,18R,19S,20S)-18-hydroxy-8-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-yl] acetate |
| Canonical SMILES | COc1cccc2c1c1CCN3[C@@H](c1[nH]2)C[C@H]1[C@@H](C3)CC[C@H]([C@H]1OC(=O)C)O |
| Standard InCHI | InChI=1S/C22H28N2O4/c1-12(25)28-22-15-10-17-21-14(20-16(23-21)4-3-5-19(20)27-2)8-9-24(17)11-13(15)6-7-18(22)26/h3-5,13,15,17-18,22-23,26H,6-11H2,1-2H3/t13-,15+,17-,18-,22+/m1/s1 |
| Standard InCHIKey | MTJHSYDEEYNWIV-PNKZEQOLSA-N |
| Ingredient External Links |
PubChem CID: 5315176 |
| Plant-Ingredient Association Reference |
Database: TCMID [22359] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
Ingredient ID: NPC179787
Formula: C12H10N2
Ingredient ID: NPC179787
| Common Name | Harman |
| IUPAC Name | 1-methyl-9H-pyrido[3,4-b]indole |
| Canonical SMILES | Cc1nccc2c1[nH]c1c2cccc1 |
| Standard InCHI | InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3 |
| Standard InCHIKey | PSFDQSOCUJVVGF-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5281404 ZINC ID: ZINC000006069162 ChEMBL ID: CHEMBL12014 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC179787] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Ophiorrhiza liukiuensis | Ophiorrhiza | Rubiaceae |
|
| Passiflora incarnata | Passiflora | Passifloraceae |
|
| Peganum harmala | Peganum | Nitrariaceae |
|
| Passiflora edulis | Passiflora | Passifloraceae |
|
| Plumbago zeylanica | Plumbago | Plumbaginaceae |
|
| Uncaria rhynchophylla | Uncaria | Rubiaceae |
|
| Hippophae rhamnoides | Hippophae | Elaeagnaceae |
|
| Rumex chalepensis | Rumex | Polygonaceae | |
| Capsicum annuum | Capsicum | Solanaceae |
|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Viola philippica | Viola | Violaceae | |
| Polygala tenuifolia | Polygala | Polygalaceae |
|
| Symplocos setchuensis | Symplocos | Symplocaceae | |
| Elaeagnus angustifolia | Elaeagnus | Elaeagnaceae |
|
| Uncaria elliptica | Uncaria | Rubiaceae |
|
| Tribulus terrestris | Tribulus | Zygophyllaceae |
|
| Commelina communis | Commelina | Commelinaceae |
|
Ingredient ID: NPC158994
Formula: C2H3ClO2
Ingredient ID: NPC158994
| Common Name | Chloroacetic Acid |
| IUPAC Name | 2-chloroacetic acid |
| Canonical SMILES | OC(=O)CCl |
| Standard InCHI | InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5) |
| Standard InCHIKey | FOCAUTSVDIKZOP-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 300 ChEMBL ID: CHEMBL14090 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC158994] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
Ingredient ID: NPC142753
Formula: C35H60O6
Ingredient ID: NPC142753
| Common Name | n.a. |
| IUPAC Name | (3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-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)CC[C@H](C1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)C |
| Standard InCHI | InChI=1S/C35H60O6/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/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26?,27+,28+,29-,30-,31+,32-,33?,34+,35-/m1/s1 |
| Standard InCHIKey | NPJICTMALKLTFW-MSNYQJDCSA-N |
| Ingredient External Links |
PubChem CID: 52940117 |
| Plant-Ingredient Association Reference |
Database: TCMID [4679] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Tinospora capillipes | Tinospora | Menispermaceae | |
| Ophiorrhiza liukiuensis | Ophiorrhiza | Rubiaceae |
|
| Cistanche deserticola | Cistanche | Orobanchaceae |
|
| Akebia trifoliata | Akebia | Lardizabalaceae |
|
| Rubus alceifolius | Rubus | Rosaceae |
|
| Echinops grijsii | Echinops | Asteraceae |
|
| Asparagus cochinchinensis | Asparagus | Asparagaceae |
|
| Eleutherococcus sessiliflorus | Eleutherococcus | Araliaceae |
|
| Amomum villosum | Amomum | Zingiberaceae |
|
| Eleutherococcus senticosus | Eleutherococcus | Araliaceae |
|
| Dendrobium chrysanthum | Dendrobium | Orchidaceae |
|
| Pinellia pedatisecta | Pinellia | Araceae |
|
| Zingiber aromaticum | Zingiber | Zingiberaceae |
|
| Caltha palustris | Caltha | Ranunculaceae |
|
| Rheum australe | Rheum | Polygonaceae |
|
| Changium smyrnioides | Changium | Apiaceae |
|
| Pulsatilla chinensis | Pulsatilla | Ranunculaceae |
|
| Aquilaria sinensis | Aquilaria | Thymelaeaceae |
|
| Walsura yunnanensis | Walsura | Meliaceae | |
| Aristolochia contorta | Aristolochia | Aristolochiaceae |
|
| Brucea javanica | Brucea | Simaroubaceae |
|
| Citrus medica | Citrus | Rutaceae |
|
| Daucus carota | Daucus | Apiaceae |
|
| Citrus wilsonii | Citrus | Rutaceae |
|
| Saposhnikovia divaricata | Saposhnikovia | Apiaceae |
|
| Elsholtzia bodinieri | Elsholtzia | Lamiaceae |
|
| Prunella vulgaris | Prunella | Lamiaceae |
|
| Rabdosia excisa | Isodon | Lamiaceae |
|
| Dysosma versipellis | Dysosma | Berberidaceae |
|
| Diospyros kaki | Diospyros | Ebenaceae |
|
| Cyclea racemosa | Cyclea | Menispermaceae | |
| Fritillaria walujewii | Fritillaria | Liliaceae |
|
| Saussurea involucrata | Saussurea | Asteraceae |
|
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Hyoscyamus niger | Hyoscyamus | Solanaceae |
|
| Pinellia ternata | Pinellia | Araceae |
|
| Tadehagi triquetrum | Tadehagi | Fabaceae |
|
| Akebia quinata | Akebia | Lardizabalaceae |
|
| Artemisia anomala | Artemisia | Asteraceae |
|
| Boschniakia rossica | Boschniakia | Orobanchaceae |
|
| Rubus idaeus | Rubus | Rosaceae |
|
| Populus tomentosa | Populus | Salicaceae |
|
| Campsis grandiflora | Campsis | Bignoniaceae |
|
| Patrinia scabiosifolia | Patrinia | Caprifoliaceae |
|
| Punica granatum | Punica | Lythraceae |
|
| Lycopus lucidus | Lycopus | Lamiaceae |
|
| Solanum nigrum | Solanum | Solanaceae |
|
| Gastrodia elata | Gastrodia | Orchidaceae |
|
| Urtica dioica | Urtica | Urticaceae |
|
| Jatropha curcas | Jatropha | Euphorbiaceae |
|
| Elsholtzia splendens | Elsholtzia | Lamiaceae |
|
| Drynaria fortunei | Drynaria | Polypodiaceae |
|
| Paeonia veitchii | Paeonia | Paeoniaceae |
|
| Angelica dahurica | Angelica | Apiaceae |
|
| Rhodiola sacra | Rhodiola | Crassulaceae |
|
| Abrus pulchellus | Abrus | Fabaceae |
|
| Maytenus hookeri | Maytenus | Celastraceae |
|
| Fagopyrum esculentum | Fagopyrum | Polygonaceae |
|
| Taraxacum officinale | Taraxacum | Asteraceae |
|
| Dracocephalum moldavicum | Dracocephalum | Lamiaceae | |
| Pteris multifida | Pteris | Pteridaceae |
|
| Gentiana dahurica | Gentiana | Gentianaceae |
|
| Artemisia vestita | Artemisia | Asteraceae |
|
| Mollugo pentaphylla | Mollugo | Molluginaceae |
|
| Sorbaria arborea | Sorbaria | Rosaceae | |
| Pygeum topengii | Pygeum | Rosaceae | |
| Cullen corylifolium | Cullen | Fabaceae |
|
| Caragana sinica | Caragana | Fabaceae |
|
| Panax ginseng | Panax | Araliaceae |
|
| Oplopanax elatus | Oplopanax | Araliaceae |
|
| Uncaria sinensis | Uncaria | Rubiaceae |
|
| Fallopia multiflora | Fallopia | Polygonaceae |
|
| Balanophora involucrata | Balanophora | Balanophoraceae |
|
| Agastache rugosus | Agastache | Lamiaceae |
|
| Andrographis paniculata | Andrographis | Acanthaceae |
|
| Ardisia arborescens | Ardisia | Primulaceae |
|
| Isatis tinctoria | Isatis | Brassicaceae |
|
| Scrophularia ningpoensis | Scrophularia | Scrophulariaceae |
|
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
| Ampelopsis glandulosa var. brevipedunculata | Ampelopsis | Vitaceae | |
| Euphorbia humifusa | Euphorbia | Euphorbiaceae |
|
| Salvia miltiorrhiza | Salvia | Lamiaceae |
|
| Ziziphus jujuba | Ziziphus | Rhamnaceae |
|
| Astilbe chinensis | Astilbe | Saxifragaceae |
|
| Smilax glabra | Smilax | Smilacaceae |
|
| Commelina communis | Commelina | Commelinaceae |
|
| Rehmannia glutinosa | Rehmannia | Orobanchaceae |
|
| Symplocos chinensis | Symplocos | Symplocaceae | |
| Pueraria montana var. lobata | Pueraria | Fabaceae |
|
| Gardenia jasminoides | Gardenia | Rubiaceae |
|
| Crinum asiaticum | Crinum | Amaryllidaceae |
|
Ingredient ID: NPC13007
Formula: C14H12O3
Ingredient ID: NPC13007
| Common Name | Sesalin |
| IUPAC Name | 8,8-dimethylpyrano[2,3-f]chromen-2-one |
| Canonical SMILES | CC1(C)C=Cc2c(O1)ccc1c2oc(=O)cc1 |
| Standard InCHI | InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3 |
| Standard InCHIKey | QUVCQYQEIOLHFZ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 68229 ZINC ID: ZINC000000265504 ChEMBL ID: CHEMBL71358 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC13007] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Strophanthus eminii | Strophanthus | Apocynaceae |
|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Moringa oleifera | Moringa | Moringaceae |
|
| Stevia alpina | Stevia | Asteraceae | |
| Angelica gigas | Angelica | Apiaceae |
|
| Citrus hassaku | Citrus | Rutaceae | |
| Aphelandra chamissoniana | Aphelandra | Acanthaceae | |
| Bryopsis pennata | Bryopsis | Bryopsidaceae | |
| Pseudotsuga japonica | Pseudotsuga | Pinaceae | |
| Plumbago zeylanica | Plumbago | Plumbaginaceae |
|
| Angelica sinensis | Angelica | Apiaceae |
|
| Pluchea dioscoridis | Pluchea | Asteraceae |
|
| Strychnos henningsii | Strychnos | Loganiaceae |
|
| Aconitum tanguticum | Aconitum | Ranunculaceae |
|
| Citropsis articulata | Citropsis | Rutaceae |
|
| Acanthophyllum sordidum | Acanthophyllum | Caryophyllaceae | |
| Vernonia scorpioides | Vernonia | Asteraceae | |
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Polyalthia stenopetala | Polyalthia | Annonaceae | |
| Roemeria refracta | Roemeria | Papaveraceae | |
| Bougainvillea glabra | Bougainvillea | Nyctaginaceae |
|
| Citrus trifoliata | Citrus | Rutaceae |
|
| Pyrola rotundifolia | Pyrola | Ericaceae |
|
| Citrus rugulosa | Citrus | Rutaceae | |
| Panax spinosus | Panax | Araliaceae | |
| Apium graveolens | Apium | Apiaceae |
|
| Aconitum habaense | Aconitum | Ranunculaceae | |
| Clematis flammula | Clematis | Ranunculaceae |
|
| Foeniculum vulgare | Foeniculum | Apiaceae |
|
| Angelica acutiloba | Angelica | Apiaceae |
|
| Strophanthus hispidus | Strophanthus | Apocynaceae |
|
| Asterolasia squamuligera | Asterolasia | Rutaceae | |
| Citrus natsudaidai | Citrus | Rutaceae |
|
| Hortia arborea | Hortia | Rutaceae | |
| Cinnamomum tenuifolium | Cinnamomum | Lauraceae |
|
| Catharanthus roseus | Catharanthus | Apocynaceae |
|
| Citrus aurantium | Citrus | Rutaceae |
|
| Citrus junos | Citrus | Rutaceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC13007 | C14H12O3 | Sesalin | 228.08 | 1.1778 | 2.67 | 2.932 | 1 | 0 | 35.53 | 2 | 3 | 17 | 0 |
| NPC142753 | C35H60O6 | (3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-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 | 576.4389896 | -0.4469 | 4.65 | 10.487 | 6 | 4 | 99.38 | 9 | 5 | 41 | 1 |
| NPC158994 | C2H3ClO2 | Chloroacetic Acid | 93.98 | 0.3027 | 1.35 | 0.157 | 2 | 1 | 37.3 | 3 | 0 | 5 | 0 |
| NPC179787 | C12H10N2 | Harman | 182.08 | 0.0191 | 2.56 | 2.968 | 2 | 1 | 28.68 | 1 | 3 | 14 | 0 |
| NPC199393 | C22H28N2O4 | [(1R,15S,18R,19S,20S)-18-hydroxy-8-methoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-yl] acetate | 384.2049074 | -1.2619 | 3.22 | 2.11 | 5 | 2 | 74.79 | 3 | 5 | 28 | 0 |
| NPC199986 | C47H58N6O16 | 962.3909298 | -4.6 | 4.21 | 2.109 | 19 | 8 | 315.12 | 8 | 5 | 69 | 2 | |
| NPC218834 | C33H42O19 | 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one | 742.2320291 | -6.7073 | 3 | -2.214 | 15 | 11 | 304.21 | 8 | 6 | 52 | 2 |
| NPC219597 | C26H29NO5 | 435.204573 | -1.2728 | 3.66 | 3.933 | 3 | 1 | 68.23 | 2 | 5 | 32 | 0 | |
| NPC22999 | C3H4N2O | 1,3-oxazol-4-amine | 84.03236275 | -0.904 | 1.46 | -0.443 | 2 | 1 | 52.05 | 0 | 1 | 6 | 0 |
| NPC257188 | C14H12O3 | Xanthyletin | 228.08 | 1.1778 | 2.67 | 2.932 | 1 | 0 | 35.53 | 2 | 3 | 17 | 0 |
| NPC261003 | C21H24N2O4 | 368.1736072 | -0.6955 | 3.11 | 1.954 | 5 | 1 | 63.79 | 3 | 5 | 27 | 0 | |
| NPC265786 | C20H26N2O2 | 327.2072531 | -3.5252 | 3.22 | 2.451 | 3 | 3 | 48.14 | 1 | 4 | 24 | 0 | |
| NPC294909 | C21H24N2O3 | Rauwolfia Serpentina | 352.18 | -0.6544 | 3.22 | 3.069 | 5 | 1 | 54.56 | 4 | 5 | 26 | 0 |
| NPC303096 | C31H36N2O8 | methyl (1R,15S,17R,18R,19S,20S)-18-hydroxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate | 564.2471661 | -1.2209 | 3.77 | 3.348 | 7 | 2 | 119.55 | 8 | 6 | 41 | 0 |
| NPC304351 | C23H30O5 | 386.2093241 | -0.2054 | 3.44 | 6.196 | 2 | 2 | 83.83 | 10 | 3 | 28 | 1 | |
| NPC313985 | C21H26N2O3 | Methyl 18-Hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-Dodecahydroyohimban-19-Carboxylate | 354.19 | -1.212 | 3.22 | 2.857 | 5 | 2 | 65.56 | 4 | 5 | 26 | 0 |
| NPC315634 | C33H40N2O9 | Methyl 6,18-Dimethoxy-17-(3,4,5-Trimethoxybenzoyl)Oxy-1,3,11,12,14,15,16,17,18,19,20,21-Dodecahydroyohimban-19-Carboxylate | 608.27 | -0.8642 | 3.88 | 2.783 | 7 | 1 | 117.78 | 16 | 6 | 44 | 0 |
| NPC51843 | C4H8N2O2 | (1Z,3E)-1,4-diaminobuta-1,3-diene-1,4-diolate | 114.0429274 | -2.1338 | 1.46 | -0.212 | 4 | 2 | 98.16 | 1 | 0 | 8 | 0 |
| NPC81654 | C21H26N2O3.ClH | 354.1943427 | -1.212 | 3.22 | 2.857 | 5 | 2 | 65.56 | 4 | 5 | 26 | 0 | |
| NPC86148 | C19H20N2O | 292.1575633 | 0.1619 | 3.22 | 2.74 | 3 | 1 | 36.1 | 1 | 3 | 22 | 0 | |
| NPC97444 | C4H6O6 | Tartrate | 150.02 | -1.7144 | 1.24 | -2.238 | 6 | 4 | 115.06 | 7 | 0 | 10 | 0 |
Download Data
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