Ingredient ID: NPC69670
Formula: C17H18O4
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | COC(=O)/C=C/C=C/CC/C=C/c1ccc2c(c1)OCO2 |
Standard InCHI | InChI=1S/C17H18O4/c1-19-17(18)9-7-5-3-2-4-6-8-14-10-11-15-16(12-14)21-13-20-15/h3,5-12H,2,4,13H2,1H3/b5-3+,8-6+,9-7+ |
Standard InCHIKey | HLJZJOPIVFTQNX-NFGBADIGSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD64186] Database: NPASS [NPC69670] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Dryobalanops camphora | Dryobalanops | Dipterocarpaceae | |
Lophocolea bidentata | Lophocolea | Lophocoleaceae |
Ingredient ID: NPC235736
Formula: C24H32O4
Common Name | n.a. |
IUPAC Name | 2-methylpropyl (2E,4E,12E)-13-(1,3-benzodioxol-5-yl)trideca-2,4,12-trienoate |
Canonical SMILES | CC(COC(=O)/C=C/C=C/CCCCCC/C=C/c1ccc2c(c1)OCO2)C |
Standard InCHI | InChI=1S/C24H32O4/c1-20(2)18-26-24(25)14-12-10-8-6-4-3-5-7-9-11-13-21-15-16-22-23(17-21)28-19-27-22/h8,10-17,20H,3-7,9,18-19H2,1-2H3/b10-8+,13-11+,14-12+ |
Standard InCHIKey | GGTOOCSBWYVXHC-AUVZEZIHSA-N |
Ingredient External Links |
PubChem CID: 101066120 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD170750] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Dryobalanops camphora | Dryobalanops | Dipterocarpaceae | |
Lophocolea bidentata | Lophocolea | Lophocoleaceae |
Ingredient ID: NPC227160
Formula: C21H22O6
Common Name | n.a. |
IUPAC Name | 5-[(3S,3aR,6R,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole |
Canonical SMILES | COc1cc(ccc1OC)[C@@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2 |
Standard InCHI | InChI=1S/C21H22O6/c1-22-16-5-3-12(7-18(16)23-2)20-14-9-25-21(15(14)10-24-20)13-4-6-17-19(8-13)27-11-26-17/h3-8,14-15,20-21H,9-11H2,1-2H3/t14-,15-,20-,21+/m0/s1 |
Standard InCHIKey | AWOGQCSIVCQXBT-LATRNWQMSA-N |
Ingredient External Links |
PubChem CID: 10926754 ZINC ID: ZINC000012153719 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC227160] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Farfugium japonicum | Farfugium | Asteraceae | |
Magnolia denudata | Magnolia | Magnoliaceae | |
Magnolia salicifolia | Magnolia | Magnoliaceae | |
Magnolia biondii | Magnolia | Magnoliaceae | |
Dryobalanops camphora | Dryobalanops | Dipterocarpaceae | |
Lophocolea bidentata | Lophocolea | Lophocoleaceae | |
Magnolia kobus | Magnolia | Magnoliaceae | |
Magnolia sprengeri | Magnolia | Magnoliaceae |
Ingredient ID: NPC21867
Formula: C21H26O5
Common Name | n.a. |
IUPAC Name | 4-[(2S,3S,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol |
Canonical SMILES | COc1cc(ccc1OC)[C@@H]1O[C@@H]([C@H]([C@H]1C)C)c1ccc(c(c1)OC)O |
Standard InCHI | InChI=1S/C21H26O5/c1-12-13(2)21(15-7-9-17(23-3)19(11-15)25-5)26-20(12)14-6-8-16(22)18(10-14)24-4/h6-13,20-22H,1-5H3/t12-,13+,20-,21+/m0/s1 |
Standard InCHIKey | YPQNDHHCUQGPFN-WVGOSAFVSA-N |
Ingredient External Links |
PubChem CID: 13939326 ZINC ID: ZINC000033832943 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC21867] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Hyptis tomentosa | Hyptis | Lamiaceae | |
Cephalonoplos segetum | Cephanonoplos | Asteraceae | |
Dryobalanops camphora | Dryobalanops | Dipterocarpaceae | |
Lophocolea bidentata | Lophocolea | Lophocoleaceae | |
Lens phaseoloides | Lens | Fabaceae | |
Ipomoea cristulata | Ipomoea | Convolvulaceae | |
Lophozonia menziesii | Lophozonia | Nothofagaceae | |
Myristica fragrans | Myristica | Myristicaceae | |
Rhodotypos scandens | Rhodotypos | Rosaceae | |
Pancratium trianthum | Pancratium | Amaryllidaceae | |
Piper pedicellosum | Piper | Piperaceae | |
Xanthostemon oppositifolius | Xanthostemon | Myrtaceae | |
Esenbeckia nesiotica | Esenbeckia | Rutaceae | |
Catalpa bignonioides | Catalpa | Bignoniaceae | |
Helipterum tenellum | Helipterum | Asteraceae |
Ingredient ID: NPC195986
Formula: C14H25NO
Common Name | Pellitorin |
IUPAC Name | (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide |
Canonical SMILES | CCCCC/C=C/C=C/C(=NCC(C)C)O |
Standard InCHI | InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,15,16)/b9-8+,11-10+ |
Standard InCHIKey | MAGQQZHFHJDIRE-BNFZFUHLSA-N |
Ingredient External Links |
PubChem CID: 5318516 ZINC ID: ZINC000013838505 ChEMBL ID: CHEMBL271242 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC195986] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Brickellia longifolia | Brickellia | Asteraceae | |
Verbesina virginica | Verbesina | Asteraceae | |
Bellardia viscosa | Bellardia | Orobanchaceae | |
Dichotomanthes tristaniicarpa | Dichotomanthes | Rosaceae | |
Cochlearia officinalis | Cochlearia | Brassicaceae | |
Forsythia japonica | Forsythia | Oleaceae | |
Frullania brasiliensis | Frullania | Frullaniaceae | |
Bupleurum rigidum | Bupleurum | Apiaceae | |
Cornus officinalis | Cornus | Cornaceae | |
Abies webbiana | Abies | Pinaceae | |
Garcinia oligantha | Garcinia | Clusiaceae | |
Iris spuria | Iris | Iridaceae | |
Eucalyptus hybrid | Eucalyptus | Myrtaceae | |
Aconitum episcopale | Aconitum | Ranunculaceae | |
Kopsia lapidilecta | Kopsia | Apocynaceae | |
Dryopteris arguta | Dryopteris | Dryopteridaceae | |
Plenckia populnea | Plenckia | Celastraceae | |
Dryobalanops camphora | Dryobalanops | Dipterocarpaceae | |
Lophocolea bidentata | Lophocolea | Lophocoleaceae | |
Acanthosyris paulo-alvinii | Acanthosyris | Cervantesiaceae | |
Phytolacca thyrsiflora | Phytolacca | Phytolaccaceae | |
Corydalis thalictrifolia | Corydalis | Papaveraceae | |
Corymbia scabrida | Corymbia | Myrtaceae | |
Calliandra eriophylla | Calliandra | Fabaceae | |
Pinus aristata | Pinus | Pinaceae | |
Palisota barteri | Palisota | Commelinaceae | |
Matsumurella chinensis | Matsumurella | Lamiaceae | |
Piper longum | Piper | Piperaceae | |
Silene banksia | Silene | Caryophyllaceae | |
Podocarpus minor | Podocarpus | Podocarpaceae | |
Piper sarmentosum | Piper | Piperaceae | |
Piper nigrum | Piper | Piperaceae | |
Castilleja sulphurea | Castilleja | Orobanchaceae | |
Ardisia japonica | Ardisia | Primulaceae | |
Ardisia arborescens | Ardisia | Primulaceae | |
Dracontium loretense | Dracontium | Araceae | |
Lindera aggregata | Lindera | Lauraceae | |
Aglaia perviridis | Aglaia | Meliaceae | |
Piper kadsura | Piper | Piperaceae | |
Oocystis polymorpha | Oocystis | Oocystaceae | |
Phoebe grandis | Phoebe | Lauraceae | |
Euphorbia wangii | Euphorbia | Euphorbiaceae | |
Gymnosporia trigyna | Gymnosporia | Celastraceae | |
Carpesium longifolium | Carpesium | Asteraceae | |
Rubus pileatus | Rubus | Rosaceae | |
Piper retrofractum | Piper | Piperaceae | |
Crocus corsicus | Crocus | Iridaceae | |
Schefflera venulosa | Schefflera | Araliaceae | |
Rubus trifidus | Rubus | Rosaceae | |
Dioscorea sativa | Dioscorea | Dioscoreaceae | |
Huperzia miyoshiana | Huperzia | Lycopodiaceae | |
Pseudobrickellia brasiliensis | Pseudobrickellia | Asteraceae | |
Homalium laurifolium | Homalium | Salicaceae | |
Hippocrepis emerus | Hippocrepis | Fabaceae | |
Betula alnoides | Betula | Betulaceae | |
Rhododendron latoucheae | Rhododendron | Ericaceae | |
Coelogyne nitida | Coelogyne | Orchidaceae |
Ingredient ID: NPC171928
Formula: C20H18O6
Common Name | Sesamin |
IUPAC Name | 5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole |
Canonical SMILES | C1Oc2c(O1)cc(cc2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2 |
Standard InCHI | InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1 |
Standard InCHIKey | PEYUIKBAABKQKQ-AFHBHXEDSA-N |
Ingredient External Links |
PubChem CID: 72307 ZINC ID: ZINC000001668768 ChEMBL ID: CHEMBL252915 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC171928] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Artabotrys uncinatus | Artabotrys | Annonaceae | |
Scrophularia leucoclada | Scrophularia | Scrophulariaceae | |
Brickellia longifolia | Brickellia | Asteraceae | |
Lindera obtusiloba | Lindera | Lauraceae | |
Verbesina virginica | Verbesina | Asteraceae | |
Asteriscus aquaticus | Asteriscus | Asteraceae | |
Cinnamomum subavenium | Cinnamomum | Lauraceae | |
Moringa oleifera | Moringa | Moringaceae | |
Dichotomanthes tristaniicarpa | Dichotomanthes | Rosaceae | |
Arnebia decumbens | Arnebia | Boraginaceae | |
Pseudowintera colorata | Pseudowintera | Winteraceae | |
Nigella aristata | Nigella | Ranunculaceae | |
Cochlearia officinalis | Cochlearia | Brassicaceae | |
Phebalium dentatum | Phebalium | Rutaceae | |
Crotalaria mitchellii | Crotalaria | Fabaceae | |
Ecballium elaterium | Ecballium | Cucurbitaceae | |
Capparis ovata | Capparis | Capparaceae | |
Croton montevidensis | Croton | Euphorbiaceae | |
Eleutherococcus senticosus | Eleutherococcus | Araliaceae | |
Datisca glomerata | Datisca | Datiscaceae | |
Frullania brasiliensis | Frullania | Frullaniaceae | |
Acicarpha tribuloides | Acicarpha | Calyceraceae | |
Quercus imbricaria | Quercus | Fagaceae | |
Asarum heterotropoides | Asarum | Aristolochiaceae | |
Bupleurum rigidum | Bupleurum | Apiaceae | |
Dioscorea olfersiana | Dioscorea | Dioscoreaceae | |
Cassine papillosa | Cassine | Celastraceae | |
Potamogeton malaianus | Potamogeton | Potamogetonaceae | |
Polypodium vulgare | Polypodium | Polypodiaceae | |
Abies webbiana | Abies | Pinaceae | |
Vallaris heynei | Vallaris | Apocynaceae | |
Glycosmis puberula | Glycosmis | Rutaceae | |
Otanthus maritimus | Otanthus | Asteraceae | |
Garcinia oligantha | Garcinia | Clusiaceae | |
Berkheya rhapontica | Berkheya | Asteraceae | |
Clerodendrum cyrtophyllum | Clerodendrum | Lamiaceae | |
Acanthothamnus aphyllus | Acanthothamnus | Celastraceae | |
Cephalotaxus hainanensis | Cephalotaxus | Taxaceae | |
Corymbia citriodora | Corymbia | Myrtaceae | |
Onobrychis bobrovii | Onobrychis | Fabaceae | |
Iris spuria | Iris | Iridaceae | |
Centaurea musimomum | Centaurea | Asteraceae | |
Eucalyptus hybrid | Eucalyptus | Myrtaceae | |
Cuscuta chinensis | Cuscuta | Convolvulaceae | |
Aconitum episcopale | Aconitum | Ranunculaceae | |
Centaurea arbutifolia | Centaurea | Asteraceae | |
Dryobalanops camphora | Dryobalanops | Dipterocarpaceae | |
Lophocolea bidentata | Lophocolea | Lophocoleaceae | |
Acanthosyris paulo-alvinii | Acanthosyris | Cervantesiaceae | |
Senecio zoellneri | Senecio | Asteraceae | |
Achillea magnifica | Achillea | Asteraceae | |
Crinum stuhlmannii | Crinum | Amaryllidaceae | |
Phyllanthus oligospermus | Phyllanthus | Phyllanthaceae | |
Piper acutifolium | Piper | Piperaceae | |
Zanthoxylum integrifoliolum | Zanthoxylum | Rutaceae | |
Bidens tripartita | Bidens | Asteraceae | |
Corymbia scabrida | Corymbia | Myrtaceae | |
Hypericum japonicum | Hypericum | Hypericaceae | |
Stypandra imbricata | Stypandra | Asphodelaceae | |
Genista sessilifolia | Genista | Fabaceae | |
Corydalis sewerzowi | Corydalis | Papaveraceae | |
Trapa bicornis | Trapa | Lythraceae | |
Palisota barteri | Palisota | Commelinaceae | |
Cacalia robusta | Cacalia | Asteraceae | |
Xyris indica | Xyris | Xyridaceae | |
Aconitum palmatum | Aconitum | Ranunculaceae | |
Onoseris alata | Onoseris | Asteraceae | |
Carpesium faberi | Carpesium | Asteraceae | |
Microcos paniculata | Microcos | Malvaceae | |
Vellozia streptophylla | Vellozia | Velloziaceae | |
Aconitum tianschanicum | Aconitum | Ranunculaceae | |
Solanum diflorum | Solanum | Solanaceae | |
Staehelina fruticosa | Staehelina | Asteraceae | |
Gomphostemma parviflorum | Gomphostemma | Lamiaceae | |
Chlamydomonas allensworthii | Chlamydomonas | Chlamydomonadaceae | |
Hippobroma longiflora | Hippobroma | Campanulaceae | |
Psilotum nudum | Psilotum | Psilotaceae | |
Matsumurella chinensis | Matsumurella | Lamiaceae | |
Codonopsis cordifolioidea | Codonopsis | Campanulaceae | |
Ariocarpus fissuratus | Ariocarpus | Cactaceae | |
Sesamum indicum | Sesamum | Pedaliaceae | |
Trifolium strepens | Trifolium | Fabaceae | |
Solanum andigena | Solanum | Solanaceae | |
Piper longum | Piper | Piperaceae | |
Cladrastis kentukea | Cladrastis | Fabaceae | |
Petteria ramentacea | Petteria | Fabaceae | |
Silene banksia | Silene | Caryophyllaceae | |
Podocarpus minor | Podocarpus | Podocarpaceae | |
Piper sarmentosum | Piper | Piperaceae | |
Cuscuta australis | Cuscuta | Convolvulaceae | |
Alstonia undulifolia | Alstonia | Apocynaceae | |
Scrophularia koelzii | Scrophularia | Scrophulariaceae | |
Artemisia rutifolia | Artemisia | Asteraceae | |
Ardisia japonica | Ardisia | Primulaceae | |
Medinilla magnifica | Medinilla | Melastomataceae | |
Ardisia arborescens | Ardisia | Primulaceae | |
Dracontium loretense | Dracontium | Araceae | |
Ferula gummosa | Ferula | Apiaceae | |
Flemingia philippinensis | Flemingia | Fabaceae | |
Betula platyphylla | Betula | Betulaceae | |
Laggera alata | Laggera | Asteraceae | |
Polygonum flaccidum | Polygonum | Polygonaceae | |
Dracaena ombet | Dracaena | Asparagaceae | |
Aglaia perviridis | Aglaia | Meliaceae | |
Helipterum gnaphaloides | Helipterum | Asteraceae | |
Daemonorops draco | Daemonorops | Arecaceae | |
Hubertia tomentosa | Hubertia | Asteraceae | |
Ligustrum obtusifolium | Ligustrum | Oleaceae | |
Pseudoxandra sclerocarpa | Pseudoxandra | Annonaceae | |
Papaver persicum | Papaver | Papaveraceae | |
Oocystis polymorpha | Oocystis | Oocystaceae | |
Aniba rosaeodora | Aniba | Lauraceae | |
Helichrysum auriceps | Helichrysum | Asteraceae | |
Garrya laurifolia | Garrya | Garryaceae | |
Phoebe grandis | Phoebe | Lauraceae | |
Sequoia sempervirens | Sequoia | Cupressaceae | |
Asarum sieboldii | Asarum | Aristolochiaceae | |
Euphorbia wangii | Euphorbia | Euphorbiaceae | |
Carpesium longifolium | Carpesium | Asteraceae | |
Rubus pileatus | Rubus | Rosaceae | |
Piper retrofractum | Piper | Piperaceae | |
Cinnamomum camphora | Cinnamomum | Lauraceae | |
Mesua ferrea | Mesua | Calophyllaceae | |
Crocus corsicus | Crocus | Iridaceae | |
Myrica arborea | Myrica | Myricaceae | |
Schefflera venulosa | Schefflera | Araliaceae | |
Goupia glabra | Goupia | Goupiaceae | |
Dahlstedtia pentaphylla | Dahlstedtia | Fabaceae | |
Rubus trifidus | Rubus | Rosaceae | |
Fagus fusca | Fagus | Fagaceae | |
Spiracantha cornifolia | Spiracantha | Asteraceae | |
Excoecaria acerifolia | Excoecaria | Euphorbiaceae | |
Tylophora tanakae | Tylophora | Apocynaceae | |
Senecio cathcartensis | Senecio | Asteraceae | |
Iryanthera polyneura | Iryanthera | Myristicaceae | |
Myristica cagayanensis | Myristica | Myristicaceae | |
Eleutherococcus gracilistylus | Eleutherococcus | Araliaceae | |
Monopteryx uaucu | Monopteryx | Fabaceae | |
Polygala aureocauda | Polygala | Polygalaceae | |
Charpentiera obovata | Charpentiera | Amaranthaceae | |
Homalium laurifolium | Homalium | Salicaceae | |
Zanthoxylum nitidum | Zanthoxylum | Rutaceae | |
Lotus ucrainicus | Lotus | Fabaceae | |
Vincetoxicum hirundinaria | Vincetoxicum | Apocynaceae | |
Daphne genkwa | Daphne | Thymelaeaceae | |
Ethulia conyzoides | Ethulia | Asteraceae | |
Betula alnoides | Betula | Betulaceae | |
Coelogyne nitida | Coelogyne | Orchidaceae |
Ingredient ID: NPC129687
Formula: C20H18O6
Common Name | Asarinin |
IUPAC Name | 5-[(3R,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole |
Canonical SMILES | C1Oc2c(O1)cc(cc2)[C@@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2 |
Standard InCHI | InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20+/m0/s1 |
Standard InCHIKey | PEYUIKBAABKQKQ-WZBLMQSHSA-N |
Ingredient External Links |
PubChem CID: 101612 ZINC ID: ZINC000018037965 ChEMBL ID: CHEMBL43469 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC129687] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Lindera obtusiloba | Lindera | Lauraceae | |
Lespedeza cyrtobotrya | Lespedeza | Fabaceae | |
Asarum heterotropoides | Asarum | Aristolochiaceae | |
Uvaria ferruginea | Uvaria | Annonaceae | |
Teucrium fragile | Teucrium | Lamiaceae | |
Trichilia dregeana | Trichilia | Meliaceae | |
Ptelea crenulata | Ptelea | Rutaceae | |
Hymenaea oblongifolia | Hymenaea | Fabaceae | |
Flaveria bidentis | Flaveria | Asteraceae | |
Sansevieria ehrenbergii | Sansevieria | Asparagaceae | |
Dryobalanops camphora | Dryobalanops | Dipterocarpaceae | |
Lophocolea bidentata | Lophocolea | Lophocoleaceae | |
Asarum sieboldii | Asarum | Aristolochiaceae | |
Cnidoscolus texanus | Cnidoscolus | Euphorbiaceae | |
Diospyros montana | Diospyros | Ebenaceae | |
Eleutherococcus gracilistylus | Eleutherococcus | Araliaceae | |
Veronica anagallis-aquatica | Veronica | Plantaginaceae | |
Zanthoxylum nitidum | Zanthoxylum | Rutaceae |
Ingredient ID: NPC128238
Formula: C26H41NO
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | CC(CN=C(/C=C/C=C/CCCCCCCCCCCc1ccccc1)O)C |
Standard InCHI | InChI=1S/C26H41NO/c1-24(2)23-27-26(28)22-18-13-11-9-7-5-3-4-6-8-10-12-15-19-25-20-16-14-17-21-25/h11,13-14,16-18,20-22,24H,3-10,12,15,19,23H2,1-2H3,(H,27,28)/b13-11+,22-18+ |
Standard InCHIKey | IDZIDIXCOYCXIY-MVCVICQCSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD141223] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Dryobalanops camphora | Dryobalanops | Dipterocarpaceae | |
Lophocolea bidentata | Lophocolea | Lophocoleaceae |
Ingredient ID: NPC128208
Formula: C20H24O5
Common Name | Nectandrin B |
IUPAC Name | 4-[(2R,3R,4S,5S)-5-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol |
Canonical SMILES | COc1cc(ccc1O)[C@@H]1O[C@@H]([C@H]([C@H]1C)C)c1ccc(c(c1)OC)O |
Standard InCHI | InChI=1S/C20H24O5/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)25-19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12+,19-,20+ |
Standard InCHIKey | GMXMKSFJQLFOSO-JARDSOJUSA-N |
Ingredient External Links |
PubChem CID: 156517 ZINC ID: ZINC000006067050 ChEMBL ID: CHEMBL228326 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC128208] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Hyptis tomentosa | Hyptis | Lamiaceae | |
Klasea sogdiana | Klasea | Asteraceae | |
Cephalonoplos segetum | Cephanonoplos | Asteraceae | |
Endiandra anthropophagorum | Endiandra | Lauraceae | |
Dryobalanops camphora | Dryobalanops | Dipterocarpaceae | |
Lophocolea bidentata | Lophocolea | Lophocoleaceae | |
Lens phaseoloides | Lens | Fabaceae | |
Ipomoea cristulata | Ipomoea | Convolvulaceae | |
Lophozonia menziesii | Lophozonia | Nothofagaceae | |
Myristica fragrans | Myristica | Myristicaceae | |
Rhodotypos scandens | Rhodotypos | Rosaceae | |
Pancratium trianthum | Pancratium | Amaryllidaceae | |
Piper pedicellosum | Piper | Piperaceae | |
Xanthostemon oppositifolius | Xanthostemon | Myrtaceae | |
Esenbeckia nesiotica | Esenbeckia | Rutaceae | |
Asclepias vestita | Asclepias | Apocynaceae | |
Catalpa bignonioides | Catalpa | Bignoniaceae | |
Helipterum tenellum | Helipterum | Asteraceae |
Ingredient ID: NPC119949
Formula: C11H12O3
Common Name | Elemicin |
IUPAC Name | 4-methoxy-6-prop-2-enyl-1,3-benzodioxole |
Canonical SMILES | C=CCc1cc(OC)c2c(c1)OCO2 |
Standard InCHI | InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3 |
Standard InCHIKey | BNWJOHGLIBDBOB-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 4276 ZINC ID: ZINC000000403089 ChEMBL ID: CHEMBL481044 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC119949] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Artemisia hanseniana | Artemisia | Asteraceae | |
Asteriscus aquaticus | Asteriscus | Asteraceae | |
Cinnamomum subavenium | Cinnamomum | Lauraceae | |
Artemisia capillaris | Artemisia | Asteraceae | |
Pseudowintera colorata | Pseudowintera | Winteraceae | |
Styrax benzoin | Styrax | Styracaceae | |
Ligusticum jeholense | Ligusticum | Apiaceae | |
Kopsia grandifolia | Kopsia | Apocynaceae | |
Phebalium dentatum | Phebalium | Rutaceae | |
Ecballium elaterium | Ecballium | Cucurbitaceae | |
Capparis ovata | Capparis | Capparaceae | |
Croton montevidensis | Croton | Euphorbiaceae | |
Ledebouria socialis | Ledebouria | Hyacinthaceae | |
Vepris nobilis | Vepris | Rutaceae | |
Datisca glomerata | Datisca | Datiscaceae | |
Lycopus europaeus | Lycopus | Lamiaceae | |
Quercus imbricaria | Quercus | Fagaceae | |
Asarum heterotropoides | Asarum | Aristolochiaceae | |
Asarum heterotropoides f. schm. var. mandshuricum (maxim.) kitag. | Asarum | Aristolochiaceae | |
Dipterocarpus dyeri | Dipterocarpus | Dipterocarpaceae | |
Dioscorea olfersiana | Dioscorea | Dioscoreaceae | |
Cornus officinalis | Cornus | Cornaceae | |
Cassine papillosa | Cassine | Celastraceae | |
Thymus quinquecostatus | Thymus | Lamiaceae | |
Ipomoea cairica | Ipomoea | Convolvulaceae | |
Illicium verum | Illicium | Schisandraceae | |
Pastinaca sativa | Pastinaca | Apiaceae | |
Ceanothus velutinus | Ceanothus | Rhamnaceae | |
Hyptis tomentosa | Hyptis | Lamiaceae | |
Garcinia scortechinii | Garcinia | Clusiaceae | |
Apollonias barbujana | Apollonias | Lauraceae | |
Chlorophytum borivilianum | Chlorophytum | Asparagaceae | |
Hippophae rhamnoides | Hippophae | Elaeagnaceae | |
Angelica sinensis | Angelica | Apiaceae | |
Convallaria majalis | Convallaria | Asparagaceae | |
Daucus carota | Daucus | Apiaceae | |
Capsicum annuum | Capsicum | Solanaceae | |
Isodon lophanthoides | Isodon | Lamiaceae | |
Codonopsis pilosula | Codonopsis | Campanulaceae | |
Rabdosia angustifolia | Isodon | Lamiaceae | |
Cephalonoplos segetum | Cephanonoplos | Asteraceae | |
Fragaria vesca | Fragaria | Rosaceae | |
Carthamus tinctorius | Carthamus | Asteraceae | |
Ligusticum sinense | Ligusticum | Apiaceae | |
Dryobalanops camphora | Dryobalanops | Dipterocarpaceae | |
Lophocolea bidentata | Lophocolea | Lophocoleaceae | |
Thymus vulgaris | Thymus | Lamiaceae | |
Phyllanthus oligospermus | Phyllanthus | Phyllanthaceae | |
Lasianthus fordii | Lasianthus | Rubiaceae | |
Elsholtzia ciliata | Elsholtzia | Lamiaceae | |
Vitex trifolia | Vitex | Lamiaceae | |
Anethum graveolens | Anethum | Apiaceae | |
Smilax bracteata | Smilax | Smilacaceae | |
Trichosanthes kirilowii | Trichosanthes | Cucurbitaceae | |
Tynanthus panurensis | Tynanthus | Bignoniaceae | |
Elsholtzia splendens | Elsholtzia | Lamiaceae | |
Hansenia weberbaueriana | Hansenia | Apiaceae | |
Scutellaria sieberi | Scutellaria | Lamiaceae | |
Christisonia bicolor | Christisonia | Orobanchaceae | |
Atroxima liberica | Atroxima | Polygalaceae | |
Solanum andigena | Solanum | Solanaceae | |
Linum crispum | Linum | Linaceae | |
Palafoxia texana | Palafoxia | Asteraceae | |
Apium graveolens | Apium | Apiaceae | |
Sanguisorba officinalis | Sanguisorba | Rosaceae | |
Foeniculum vulgare | Foeniculum | Apiaceae | |
Lens phaseoloides | Lens | Fabaceae | |
Piper sarmentosum | Piper | Piperaceae | |
Croton tiglium | Croton | Euphorbiaceae | |
Alstonia undulifolia | Alstonia | Apocynaceae | |
Aconitum leucostomum | Aconitum | Ranunculaceae | |
Scrophularia koelzii | Scrophularia | Scrophulariaceae | |
Aquilegia ecalcarata | Aquilegia | Ranunculaceae | |
Betula platyphylla | Betula | Betulaceae | |
Polygonum flaccidum | Polygonum | Polygonaceae | |
Ipomoea cristulata | Ipomoea | Convolvulaceae | |
Persea mexicana | Persea | Lauraceae | |
Trichosanthes rosthornii | Trichosanthes | Cucurbitaceae | |
Prunus armeniaca | Prunus | Rosaceae | |
Codonopsis radix | Codonopsis | Campanulaceae | |
Lophozonia menziesii | Lophozonia | Nothofagaceae | |
Hubertia tomentosa | Hubertia | Asteraceae | |
Lawsonia inermis | Lawsonia | Lythraceae | |
Myristica fragrans | Myristica | Myristicaceae | |
Rhodotypos scandens | Rhodotypos | Rosaceae | |
Ligustrum obtusifolium | Ligustrum | Oleaceae | |
Pancratium trianthum | Pancratium | Amaryllidaceae | |
Helichrysum auriceps | Helichrysum | Asteraceae | |
Etlingera elatior | Elettaria | Zingiberaceae | |
Petroselinum crispum | Petroselinum | Apiaceae | |
Ziziphus jujuba | Ziziphus | Rhamnaceae | |
Piper pedicellosum | Piper | Piperaceae | |
Asarum sieboldii | Asarum | Aristolochiaceae | |
Clematis chinensis | Clematis | Ranunculaceae | |
Bergenia crassifolia | Bergenia | Saxifragaceae | |
Gardenia tubifera | Gardenia | Rubiaceae | |
Xanthostemon oppositifolius | Xanthostemon | Myrtaceae | |
Esenbeckia nesiotica | Esenbeckia | Rutaceae | |
Panax innovans | Panax | Araliaceae | |
Fagus fusca | Fagus | Fagaceae | |
Spiracantha cornifolia | Spiracantha | Asteraceae | |
Tylophora tanakae | Tylophora | Apocynaceae | |
Blumea mollis | Blumea | Asteraceae | |
Rehmannia glutinosa | Rehmannia | Orobanchaceae | |
Catalpa bignonioides | Catalpa | Bignoniaceae | |
Pseudocinchona pachyceras | Pseudocinchona | Rubiaceae | |
Myristica cagayanensis | Myristica | Myristicaceae | |
Helipterum tenellum | Helipterum | Asteraceae | |
Perilla frutescens | Perilla | Lamiaceae | |
Licaria brasiliensis | Licaria | Lauraceae | |
Crotalaria orixensis | Crotalaria | Fabaceae | |
Charpentiera obovata | Charpentiera | Amaranthaceae | |
Lotus ucrainicus | Lotus | Fabaceae |
Ingredient ID: NPC114845
Formula: C20H24O4
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | CC(COC(=O)/C=C/C=C/CC/C=C/c1ccc2c(c1)OCO2)C |
Standard InCHI | InChI=1S/C20H24O4/c1-16(2)14-22-20(21)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6-13,16H,3,5,14-15H2,1-2H3/b6-4+,9-7+,10-8+ |
Standard InCHIKey | UGIIJGKKURXGFX-FCGWLDPVSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD104361] Database: NPASS [NPC114845] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Dryobalanops camphora | Dryobalanops | Dipterocarpaceae | |
Lophocolea bidentata | Lophocolea | Lophocoleaceae |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC114845 | C20H24O4 | 328.17 | 1.9986 | 3.22 | 5.53 | 2 | 0 | 44.76 | 11 | 2 | 24 | 1 | |
NPC119949 | C11H12O3 | Elemicin | 192.08 | 0.6742 | 2.34 | 2.486 | 0 | 0 | 27.69 | 4 | 2 | 14 | 0 |
NPC128208 | C20H24O5 | Nectandrin B | 344.16 | -1.0123 | 3.11 | 2.93 | 1 | 2 | 68.15 | 10 | 3 | 25 | 0 |
NPC128238 | C26H41NO | 383.3188149 | -1.1664 | 4.1 | 11.777 | 2 | 1 | 32.59 | 16 | 1 | 28 | 2 | |
NPC129687 | C20H18O6 | Asarinin | 354.11 | -1.6034 | 3 | 2.576 | 2 | 0 | 55.38 | 2 | 6 | 26 | 0 |
NPC171928 | C20H18O6 | Sesamin | 354.11 | -1.6034 | 3 | 2.576 | 2 | 0 | 55.38 | 2 | 6 | 26 | 0 |
NPC195986 | C14H25NO | Pellitorin | 223.19 | 0.5505 | 2.78 | 4.887 | 2 | 1 | 32.59 | 12 | 0 | 16 | 0 |
NPC21867 | C21H26O5 | 358.1780239 | -0.6038 | 3.22 | 3.449 | 1 | 1 | 57.15 | 11 | 3 | 26 | 0 | |
NPC227160 | C21H22O6 | 370.1416384 | -1.4043 | 3.11 | 2.649 | 2 | 0 | 55.38 | 6 | 5 | 27 | 0 | |
NPC235736 | C24H32O4 | 384.2300595 | 0.8466 | 3.66 | 7.806 | 4 | 0 | 44.76 | 13 | 2 | 28 | 2 | |
NPC69670 | C17H18O4 | 286.12 | 1.5164 | 2.89 | 4.452 | 2 | 0 | 44.76 | 8 | 2 | 21 | 0 |