Ingredient ID: NPC68148
Formula: C28H36O4
Common Name | 20Alpha-Hydroxytingenone |
IUPAC Name | (6aS,6bS,8aS,11S,12aR,14aR)-3,11-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7H-picene-2,10-dione |
Canonical SMILES | O=C1C=C2C(=CC=C3[C@@]2(C)CC[C@@]2([C@]3(C)CC[C@@]3([C@H]2C[C@](C)(O)C(=O)C3)C)C)C(=C1O)C |
Standard InCHI | InChI=1S/C28H36O4/c1-16-17-7-8-20-25(3,18(17)13-19(29)23(16)31)10-12-27(5)21-14-28(6,32)22(30)15-24(21,2)9-11-26(20,27)4/h7-8,13,21,31-32H,9-12,14-15H2,1-6H3/t21-,24+,25+,26-,27+,28+/m1/s1 |
Standard InCHIKey | LLINHWDEBZOLGN-UNQYGWCUSA-N |
Ingredient External Links |
PubChem CID: 10717799 ZINC ID: ZINC000066100553 ChEMBL ID: CHEMBL1651342 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC68148] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Maytenus retusa | Maytenus | Celastraceae | |
Echinochloa crus-galli | Echinochloa | Poaceae |
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Berberis lambertii | Berberis | Berberidaceae | |
Thunbergia grandiflora | Thunbergia | Acanthaceae |
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Zanthoxylum syncarpum | Zanthoxylum | Rutaceae |
Ingredient ID: NPC307063
Formula: C30H50O
Common Name | Friedeline |
IUPAC Name | (4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one |
Canonical SMILES | O=C1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C |
Standard InCHI | InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 |
Standard InCHIKey | OFMXGFHWLZPCFL-SVRPQWSVSA-N |
Ingredient External Links |
PubChem CID: 91472 ZINC ID: ZINC000004097720 ChEMBL ID: CHEMBL485998 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC307063] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Citrus hybr | Citrus | Rutaceae | |
Ophiorrhiza liukiuensis | Ophiorrhiza | Rubiaceae |
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Phoenix loureiroi | Phoenix | Arecaceae |
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Artemisia montana | Artemisia | Asteraceae |
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Dryopteris crenata | Dryopteris | Dryopteridaceae | |
Thalictrum longistylum | Thalictrum | Ranunculaceae |
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Clematis hexapetala | Clematis | Ranunculaceae |
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Trichilia hirta | Trichilia | Meliaceae |
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Glycyrrhiza squamulosa | Glycyrrhiza | Fabaceae |
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Hopea jucunda | Hopea | Dipterocarpaceae | |
Silene fortunei | Silene | Caryophyllaceae | |
Neolitsea dealbata | Neolitsea | Lauraceae | |
Elymus repens | Elymus | Poaceae |
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Eurybia divaricata | Eurybia | Asteraceae |
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Echinops grijsii | Echinops | Asteraceae |
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Matricaria parthenium | Matricaria | Asteraceae | |
Centaurea cadmea | Centaurea | Asteraceae | |
Atylosia trinervia | Atylosia | Fabaceae | |
Teucrium leucocladum | Teucrium | Lamiaceae | |
Elaeagnus commutata | Elaeagnus | Elaeagnaceae |
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Salvia parryi | Salvia | Lamiaceae | |
Pluchea sericea | Pluchea | Asteraceae |
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Ania latifolia | Ania | Orchidaceae | |
Eucalyptus froggattii | Eucalyptus | Myrtaceae | |
Adenopeltis colliguaya | Adenopeltis | Euphorbiaceae | |
Macaranga tanarius | Macaranga | Euphorbiaceae |
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Iris ensata | Iris | Iridaceae |
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Silene inflata | Silene | Caryophyllaceae |
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Thesium humile | Thesium | Thesiaceae | |
Peucedanum longifolium | Peucedanum | Apiaceae | |
Conyza canadensis | Conyza | Asteraceae |
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Swartzia madagascariensis | Swartzia | Fabaceae |
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Pulicaria wightiana | Pulicaria | Asteraceae |
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Euphorbia iberica | Euphorbia | Euphorbiaceae | |
Coreopsis fasciculata | Coreopsis | Asteraceae | |
Quercus mongolica | Quercus | Fagaceae |
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Cneorum pulverulentum | Cneorum | Rutaceae |
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Aloe indica | Aloe | Asphodelaceae |
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Swertia corymbosa | Swertia | Gentianaceae | |
Perityle vaseyi | Perityle | Asteraceae | |
Carpinus cordata | Carpinus | Betulaceae | |
Gymnadenia conopsea | Gymnadenia | Orchidaceae |
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Petasites georgicus | Petasites | Asteraceae | |
Balanophora harlandii | Balanophora | Balanophoraceae | |
Syzygium jambos | Syzygium | Myrtaceae |
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Pedicularis condensata | Pedicularis | Orobanchaceae | |
Pistacia mexicana | Pistacia | Anacardiaceae |
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Selinum carvifolium | Selinum | Apiaceae | |
Palafoxia rosea | Palafoxia | Asteraceae | |
Eucalyptus regnans | Eucalyptus | Myrtaceae | |
Acacia pachyphloia | Acacia | Fabaceae | |
Mangifera persiciformis | Mangifera | Anacardiaceae |
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Chrozophora obliqua | Chrozophora | Euphorbiaceae |
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Iris pallida | Iris | Iridaceae |
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Ipomoea muelleri | Ipomoea | Convolvulaceae |
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Dolichandrone crispa | Dolichandrone | Bignoniaceae |
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Narcissus concolor | Narcissus | Amaryllidaceae | |
Senecio flavus | Senecio | Asteraceae |
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Plantago alpina | Plantago | Plantaginaceae | |
Euphorbia polygonifolia | Euphorbia | Euphorbiaceae | |
Salvia coulteri | Salvia | Lamiaceae | |
Mnium hornum | Mnium | Mniaceae | |
Dirca occidentalis | Dirca | Thymelaeaceae | |
Porella swartziana | Porella | Porellaceae | |
Arabidopsis lyrata subsp. lyrata | Arabidopsis | Brassicaceae | |
Bonnetia dinizii | Bonnetia | Bonnetiaceae | |
Vismia laurentii | Vismia | Hypericaceae |
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Agave shawii | Agave | Asparagaceae |
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Thapsia transtagana | Thapsia | Apiaceae | |
Meconopsis napaulensis | Meconopsis | Papaveraceae |
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Achyranthes bidentata | Achyranthes | Amaranthaceae |
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Rheum webbianum | Rheum | Polygonaceae |
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Jacobaea adonidifolia | Jacobaea | Asteraceae | |
Mascarenhasia arborescens | Mascarenhasia | Apocynaceae | |
Acacia sparsiflora | Acacia | Fabaceae | |
Eucalyptus flocktoniae | Eucalyptus | Myrtaceae | |
Abutilon grandiflorum | Abutilon | Malvaceae |
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Kummerowia striata | Kummerowia | Fabaceae |
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Euonymus japonicus | Euonymus | Celastraceae |
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Senecio desfontainei | Senecio | Asteraceae | |
Pyrus x bretschneideri | Pyrus | Rosaceae | |
Camellia sasanqua | Camellia | Theaceae |
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Thymbra spicata | Thymbra | Lamiaceae |
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Solidago chinensis | Solidago | Asteraceae | |
Drypetes littoralis | Drypetes | Putranjivaceae | |
Phoebe formosana | Phoebe | Lauraceae | |
Edgeworthia gardneri | Edgeworthia | Thymelaeaceae |
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Sida cordifolia | Sida | Malvaceae |
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Blainvillea rhomboidea | Blainvillea | Asteraceae | |
Werneria decora | Werneria | Asteraceae | |
Pristimera indica | Pristimera | Celastraceae |
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Senecio chinensis | Senecio | Asteraceae | |
Micromonas pusilla | Micromonas | Mamiellaceae | |
Acacia glaucescens | Acacia | Fabaceae | |
Clematis terniflora var. mandshurica | Clematis | Ranunculaceae |
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Thuja plicata | Thuja | Cupressaceae |
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Millettia conraui | Millettia | Fabaceae |
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Plumbago pulchella | Plumbago | Plumbaginaceae |
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Centaurea seridis | Centaurea | Asteraceae | |
Polygala ruwenzoriensis | Polygala | Polygalaceae | |
Astrantia major | Astrantia | Apiaceae |
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Centipeda cunninghami | Centipeda | Asteraceae | |
Flindersia brayleyana | Flindersia | Rutaceae | |
Agave utahensis | Agave | Asparagaceae |
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Satureja cuneifolia | Satureja | Lamiaceae |
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Thermopsis lanceolata | Thermopsis | Fabaceae |
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Rumex conglomeratus | Rumex | Polygonaceae |
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Consolida ajacis | Consolida | Ranunculaceae |
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Convallaria keiskei | Convallaria | Asparagaceae |
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Chisocheton siamensis | Chisocheton | Meliaceae |
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Thryptomene kochii | Thryptomene | Myrtaceae | |
Polemonium caeruleum | Polemonium | Polemoniaceae |
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Viburnum rhytidophyllum | Viburnum | Adoxaceae | |
Cajanus cajan | Cajanus | Fabaceae |
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Clarkia unguiculata | Clarkia | Onagraceae |
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Raukaua simplex | Raukaua | Araliaceae | |
Plectocephalus chilensis | Plectocephalus | Asteraceae | |
Euphorbia aellenii | Euphorbia | Euphorbiaceae | |
Prunus japonica | Prunus | Rosaceae |
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Valeriana cardamines | Valeriana | Caprifoliaceae | |
Phlegmariurus fordii | Phlegmariurus | Lycopodiaceae |
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Ephedra aphylla | Ephedra | Ephedraceae | |
Fagraea fragrans | Fagraea | Gentianaceae |
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Uncaria lancifolia | Uncaria | Rubiaceae | |
Aniba parviflora | Aniba | Lauraceae |
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Ormosia flava | Ormosia | Fabaceae | |
Lavandula dentata | Lavandula | Lamiaceae |
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Quercus variabilis | Quercus | Fagaceae |
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Liabum bourgeaui | Liabum | Asteraceae | |
Crepis foetida | Crepis | Asteraceae |
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Turpinia ternata | Turpinia | Staphyleaceae |
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Adina rubescens | Adina | Rubiaceae | |
Cirsium japonicum | Cirsium | Asteraceae |
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Poa sphondylodes | Poa | Poaceae | |
Dorstenia lindeniana | Dorstenia | Moraceae | |
Jaborosa caulescens | Jaborosa | Solanaceae | |
Dioscoreophyllum cumminsii | Dioscoreophyllum | Menispermaceae |
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Myrtus tomentosa | Myrtus | Myrtaceae | |
Quercus canariensis | Quercus | Fagaceae | |
Chrysanthemum x morifolium | Chrysanthemum | Asteraceae |
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Soulamea pancheri | Soulamea | Simaroubaceae | |
Phytolacca acinosa | Phytolacca | Phytolaccaceae |
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Pinus longifolia | Pinus | Pinaceae |
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Garcinia hombroniana | Garcinia | Clusiaceae |
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Baccharis thesioides | Baccharis | Asteraceae | |
Dendrobium chrysotoxum | Dendrobium | Orchidaceae |
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Stenostomum acutatum | Stenostomum | Rubiaceae | |
Verbena triphylla | Verbena | Verbenaceae |
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Cardiospermum halicacabum | Cardiospermum | Sapindaceae |
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Aglaia elaeagnoidea | Aglaia | Meliaceae |
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Punica granatum | Punica | Lythraceae |
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Pyrus ussuriensis | Pyrus | Rosaceae |
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Urtica triangularis | Urtica | Urticaceae |
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Strychnos ledermannii | Strychnos | Loganiaceae | |
Nuphar lutea | Nuphar | Nymphaeaceae |
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Pouzolzia occidentalis | Pouzolzia | Urticaceae | |
Sciadotenia toxifera | Sciadotenia | Menispermaceae | |
Centaurea nigrescens | Centaurea | Asteraceae |
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Achillea arabica | Achillea | Asteraceae | |
Maytenus aquifolium | Maytenus | Celastraceae | |
Piper arboreum | Piper | Piperaceae |
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Durio zibethinus | Durio | Malvaceae |
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Valeriana wolgensis | Valeriana | Caprifoliaceae | |
Parastrephia lepidophylla | Parastrephia | Asteraceae | |
Phlogacanthus thyrsiflorus | Phlogacanthus | Acanthaceae |
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Euphorbia segetalis | Euphorbia | Euphorbiaceae | |
Cyanostegia microphylla | Cyanostegia | Lamiaceae | |
Sideritis romana | Sideritis | Lamiaceae | |
Sidastrum acuminatum | Sidastrum | Malvaceae | |
Maytenus cuzcoina | Maytenus | Celastraceae | |
Syncolostemon parviflorus | Syncolostemon | Lamiaceae | |
Ranunculus sceleratus | Ranunculus | Ranunculaceae |
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Aristolochia elegans | Aristolochia | Aristolochiaceae | |
Excoecaria agallocha | Excoecaria | Euphorbiaceae |
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Penstemon secundiflorus | Penstemon | Plantaginaceae | |
Aglaia forbesii | Aglaia | Meliaceae |
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Curcuma kwangsiensis | Curcuma | Zingiberaceae |
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Cuphea carthagenensis | Cuphea | Lythraceae | |
Euphorbia leuconeura | Euphorbia | Euphorbiaceae | |
Ozoroa insignis | Ozoroa | Anacardiaceae |
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Valeriana microphylla | Valeriana | Caprifoliaceae | |
Hydnocarpus hainanensis | Hydnocarpus | Achariaceae | |
Ruta microcarpa | Ruta | Rutaceae |
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Crinum defixum | Crinum | Amaryllidaceae |
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Guettarda eximia | Guettarda | Rubiaceae | |
Achillea micrantha | Achillea | Asteraceae | |
Leptosyne bigelovii | Leptosyne | Asteraceae | |
Heracleum sphondylium | Heracleum | Apiaceae |
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Micranthemum umbrosum | Micranthemum | Plantaginaceae | |
Bituminaria bituminosa | Bituminaria | Fabaceae |
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Hypolaena fastigiata | Hypolaena | Restionaceae | |
Imperata cylindrica | Imperata | Poaceae |
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Zanthoxylum monophyllum | Zanthoxylum | Rutaceae | |
Baptisia lecontii | Baptisia | Fabaceae | |
Primula integrifolia | Primula | Primulaceae | |
Centaurea hololeuca | Centaurea | Asteraceae | |
Euphorbia biglandulosa | Euphorbia | Euphorbiaceae | |
Randia longispina | Randia | Rubiaceae | |
Plazia daphnoides | Plazia | Asteraceae | |
Stevia origanoides | Stevia | Asteraceae | |
Meryta denhamii | Meryta | Araliaceae | |
Angiopteris caudatiformis | Angiopteris | Marattiaceae |
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Gypothamnium pinifolium | Gypothamnium | Asteraceae | |
Euphorbia cheiradenia | Euphorbia | Euphorbiaceae | |
Peperomia heyneana | Peperomia | Piperaceae | |
Sophora secundiflora | Sophora | Fabaceae |
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Beaumontia brevituba | Beaumontia | Apocynaceae | |
Pedicularis densispica | Pedicularis | Orobanchaceae | |
Spatholobus suberectus | Spatholobus | Fabaceae |
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Centaurea aemulans | Centaurea | Asteraceae | |
Meliosma lanceolata | Meliosma | Sabiaceae | |
Tulipa silvestris | Tulipa | Liliaceae | |
Fritillaria taipaiensis | Fritillaria | Liliaceae | |
Solanum chacoense | Solanum | Solanaceae | |
Dalbergia stipulacea | Dalbergia | Fabaceae |
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Dahlstedtia pinnata | Dahlstedtia | Fabaceae | |
Anomospermum grandifolium | Anomospermum | Menispermaceae | |
Cordylanthus kingii | Cordylanthus | Orobanchaceae | |
Cheilanthes mysurensis | Cheilanthes | Pteridaceae | |
Penianthus zenkeri | Penianthus | Menispermaceae | |
Agastache rugosa | Agastache | Lamiaceae |
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Annona cherimolia | Annona | Annonaceae |
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Iryanthera juruensis | Iryanthera | Myristicaceae |
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Maytenus apurimacensis | Maytenus | Celastraceae | |
Cassia javanica subsp. nodosa | Cassia | Fabaceae |
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Mimosa invisa | Mimosa | Fabaceae |
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Ruscus aculeatus | Ruscus | Asparagaceae |
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Astragalus pamirensis | Astragalus | Fabaceae | |
Artemisia annua | Artemisia | Asteraceae |
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Hakea amplexicaulis | Hakea | Proteaceae | |
Daphne papyracea | Daphne | Thymelaeaceae | |
Echinochloa crus-galli | Echinochloa | Poaceae |
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Erinus alpinus | Erinus | Plantaginaceae | |
Micromelum minutum | Micromelum | Rutaceae |
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Geranium macrorrhizum | Geranium | Geraniaceae |
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Valeriana hardwickii | Valeriana | Caprifoliaceae |
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Senecio macrophyllus | Senecio | Asteraceae | |
Maclura aurantiaca | Maclura | Moraceae | |
Coleus coerulescens | Coleus | Lamiaceae | |
Annona impressivenia | Annona | Annonaceae | |
Mandragora officinarum | Mandragora | Solanaceae |
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Berberis lambertii | Berberis | Berberidaceae | |
Thunbergia grandiflora | Thunbergia | Acanthaceae |
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Onoseris lopezii | Onoseris | Asteraceae | |
Zanthoxylum syncarpum | Zanthoxylum | Rutaceae | |
Artemisia vestita | Artemisia | Asteraceae |
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Rosa hybrid cultivar | Rosa | Rosaceae | |
Aster altaicus | Aster | Asteraceae | |
Xyris pterygoblephara | Xyris | Xyridaceae | |
Poterium sanguisorba | Poterium | Rosaceae |
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Plumeria alba | Plumeria | Apocynaceae |
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Pygeum topengii | Pygeum | Rosaceae | |
Dovyalis abyssinica | Dovyalis | Salicaceae |
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Aster tataricus | Aster | Asteraceae |
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Miconia myriantha | Miconia | Melastomataceae | |
Radermachera xylocarpa | Radermachera | Bignoniaceae |
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Alseodaphne corneri | Alseodaphne | Lauraceae | |
Thymus piperella | Thymus | Lamiaceae |
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Populus grandidentata | Populus | Salicaceae |
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Forsteronia refracta | Forsteronia | Apocynaceae | |
Eragrostis viscosa | Eragrostis | Poaceae |
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Nauclea officinalis | Nauclea | Rubiaceae |
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Grewia mollis | Grewia | Malvaceae |
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Eupatorium hyssopifolium | Eupatorium | Asteraceae |
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Astragalus gummifer | Astragalus | Fabaceae |
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Heterotheca grandiflora | Heterotheca | Asteraceae | |
Croton cumingii | Croton | Euphorbiaceae |
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Bersama yangambiensis | Bersama | Melianthaceae | |
Ruta pinnata | Ruta | Rutaceae |
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Khaya grandifoliola | Khaya | Meliaceae |
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Disynaphia halimifolia | Disynaphia | Asteraceae | |
Sinoadina racemosa | Sinoadina | Rubiaceae |
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Sinocrassula indica | Sinocrassula | Crassulaceae | |
Agave huachucensis | Agave | Asparagaceae | |
Kaunia saltensis | Kaunia | Asteraceae | |
Heliotropium floridum | Heliotropium | Heliotropiaceae | |
Castanopsis sclerophylla | Castanopsis | Fagaceae |
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Gymnocarpium robertianum | Gymnocarpium | Cystopteridaceae | |
Picea breweriana | Picea | Pinaceae |
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Oncoba echinata | Oncoba | Salicaceae | |
Salvia dorrii | Salvia | Lamiaceae | |
Juglans nigra | Juglans | Juglandaceae |
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Teucrium depressum | Teucrium | Lamiaceae | |
Mangifera indica | Mangifera | Anacardiaceae |
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Maytenus horrida | Maytenus | Celastraceae | |
Aconitum nevadense | Aconitum | Ranunculaceae | |
Baileya multiradiata | Baileya | Asteraceae |
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Trichilia rubescens | Trichilia | Meliaceae | |
Conocephalum japonicum | Conocephalum | Conocephalaceae | |
Hovenia acerba | Hovenia | Rhamnaceae |
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Erigeron linifolius | Erigeron | Asteraceae | |
Stevia polycephala | Stevia | Asteraceae | |
Pogostemon cablin | Pogostemon | Lamiaceae |
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Triglochin maritima | Triglochin | Juncaginaceae |
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Virola elongata | Virola | Myristicaceae | |
Sophora angustifolia | Sophora | Fabaceae | |
Kaempferia marginata | Kaempferia | Zingiberaceae |
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Lupinus cosentinii | Lupinus | Fabaceae | |
Rhododendron formosanum | Rhododendron | Ericaceae | |
Toxicopueraria peduncularis | Toxicopueraria | Fabaceae | |
Vitex pinnata | Vitex | Lamiaceae |
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Fridericia chica | Fridericia | Bignoniaceae |
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Jungermannia obovata | Jungermannia | Jungermanniaceae | |
Quercus suber | Quercus | Fagaceae |
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Elaeocarpus fuscoides | Elaeocarpus | Elaeocarpaceae | |
Crucianella maritima | Crucianella | Rubiaceae | |
Pittocaulon velatum | Pittocaulon | Asteraceae | |
Trichilia claussenii | Trichilia | Meliaceae | |
Munronia delavayi | Munronia | Meliaceae | |
Myristica argentea | Myristica | Myristicaceae |
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Chlamydomonas reinhardtii | Chlamydomonas | Chlamydomonadaceae | |
Elephantopus mollis | Elephantopus | Asteraceae |
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Doodia picta | Doodia | Blechnaceae | |
Allium neapolitanum | Allium | Amaryllidaceae |
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Morinda citrifolia | Morinda | Rubiaceae |
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Gomortega keule | Gomortega | Gomortegaceae |
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Lonchocarpus urucu | Lonchocarpus | Fabaceae | |
Portulaca oleracea | Portulaca | Portulacaceae |
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Eucalyptus cordata | Eucalyptus | Myrtaceae | |
Yucca flexilis | Yucca | Asparagaceae | |
Cassia roxburghii | Cassia | Fabaceae | |
Cycas armstrongii | Cycas | Cycadaceae |
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Codonopsis radix | Codonopsis | Campanulaceae | |
Viburnum davidii | Viburnum | Adoxaceae | |
Alnus firma | Alnus | Betulaceae | |
Jasonia montana | Jasonia | Asteraceae | |
Turraeanthus mannii | Turraeanthus | Meliaceae | |
Cycas revoluta | Cycas | Cycadaceae |
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Agathosma scaberula | Agathosma | Rutaceae | |
Coleus garckeanus | Coleus | Lamiaceae | |
Nephelium mutabile | Nephelium | Sapindaceae |
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Calodendrum capense | Calodendrum | Rutaceae |
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Veronica chamaedrys | Veronica | Plantaginaceae |
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Stevia purpurea | Stevia | Asteraceae | |
Solanum sisymbriifolium | Solanum | Solanaceae |
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Fritillaria ussuriensis | Fritillaria | Liliaceae |
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Quercus robur | Quercus | Fagaceae |
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Gerbera piloselloides | Gerbera | Asteraceae |
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Salvia miltiorrhiza | Salvia | Lamiaceae |
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Bidens cernua | Bidens | Asteraceae | |
Artemisia arbuscula | Artemisia | Asteraceae |
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Pentzia calva | Pentzia | Asteraceae | |
Mammillaria magnimamma | Mammillaria | Cactaceae | |
Tetracera asiatica | Tetracera | Dilleniaceae | |
Licaria armeniaca | Licaria | Lauraceae |
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Croton caudatus | Croton | Euphorbiaceae |
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Phedimus kamtschaticus | Phedimus | Crassulaceae |
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Artemisia bigelovii | Artemisia | Asteraceae | |
Betula davurica | Betula | Betulaceae | |
Humulus scandens | Humulus | Cannabaceae |
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Clematis chinensis | Clematis | Ranunculaceae |
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Typha domingensis | Typha | Typhaceae |
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Picea mariana | Picea | Pinaceae |
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Oxera splendida | Oxera | Lamiaceae | |
Viguiera oblongifolia | Viguiera | Asteraceae | |
Salacia chinensis | Salacia | Celastraceae |
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Ixora chinensis | Ixora | Rubiaceae |
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Cyathocline purpurea | Cyathocline | Asteraceae |
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Vitex agnus-castus | Vitex | Lamiaceae |
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Smilax myosotiflora | Smilax | Smilacaceae |
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Eria tomentosa | Eria | Orchidaceae | |
Tilia vulgaris | Tilia | Malvaceae |
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Kadsura heteroclita | Kadsura | Schisandraceae |
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Grindelia perennis | Grindelia | Asteraceae | |
Symphonia globulifera | Symphonia | Clusiaceae |
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Viburnum urceolatum | Viburnum | Adoxaceae | |
Meconopsis horridula | Meconopsis | Papaveraceae |
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Mallotus repandus | Mallotus | Euphorbiaceae |
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Euryops algoensis | Euryops | Asteraceae | |
Aconitum fauriei | Aconitum | Ranunculaceae | |
Artemisia schimperi | Artemisia | Asteraceae | |
Rohdea wattii | Rohdea | Asparagaceae | |
Citrus reshni | Citrus | Rutaceae |
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Glycosmis ovoidea | Glycosmis | Rutaceae |
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Ambrosia grayi | Ambrosia | Asteraceae | |
Gardenia jasminoides | Gardenia | Rubiaceae |
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Anisomeles indica | Anisomeles | Lamiaceae |
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Litsea pungens | Litsea | Lauraceae |
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Clematis manshurica | Clematis | Ranunculaceae | |
Dacrycarpus imbricatus | Dacrycarpus | Podocarpaceae | |
Merremia umbellata | Merremia | Convolvulaceae |
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Argyranthemum frutescens | Argyranthemum | Asteraceae | |
Cichorium intybus | Cichorium | Asteraceae |
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Isocoma pluriflora | Isocoma | Asteraceae |
Ingredient ID: NPC292419
Formula: C30H52O
Common Name | n.a. |
IUPAC Name | (3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol |
Canonical SMILES | O[C@H]1CC[C@@H]2[C@]([C@H]1C)(C)CC[C@H]1[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C |
Standard InCHI | InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1 |
Standard InCHIKey | XCDQFROEGGNAER-PFOIMGGJSA-N |
Ingredient External Links |
PubChem CID: 119242 ZINC ID: ZINC000006067010 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC292419] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Elymus repens | Elymus | Poaceae |
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Pluchea sericea | Pluchea | Asteraceae |
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Macaranga tanarius | Macaranga | Euphorbiaceae |
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Swartzia madagascariensis | Swartzia | Fabaceae |
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Acacia pachyphloia | Acacia | Fabaceae | |
Ipomoea muelleri | Ipomoea | Convolvulaceae |
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Dolichandrone crispa | Dolichandrone | Bignoniaceae |
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Narcissus concolor | Narcissus | Amaryllidaceae | |
Euphorbia polygonifolia | Euphorbia | Euphorbiaceae | |
Aquilaria sinensis | Aquilaria | Thymelaeaceae |
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Arabidopsis lyrata subsp. lyrata | Arabidopsis | Brassicaceae | |
Bonnetia dinizii | Bonnetia | Bonnetiaceae | |
Thapsia transtagana | Thapsia | Apiaceae | |
Jacobaea adonidifolia | Jacobaea | Asteraceae | |
Abutilon grandiflorum | Abutilon | Malvaceae |
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Pristimera indica | Pristimera | Celastraceae |
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Centipeda cunninghami | Centipeda | Asteraceae | |
Thryptomene kochii | Thryptomene | Myrtaceae | |
Viburnum rhytidophyllum | Viburnum | Adoxaceae | |
Cajanus cajan | Cajanus | Fabaceae |
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Raukaua simplex | Raukaua | Araliaceae | |
Euphorbia aellenii | Euphorbia | Euphorbiaceae | |
Prunus japonica | Prunus | Rosaceae |
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Valeriana cardamines | Valeriana | Caprifoliaceae | |
Uncaria lancifolia | Uncaria | Rubiaceae | |
Aniba parviflora | Aniba | Lauraceae |
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Lavandula dentata | Lavandula | Lamiaceae |
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Quercus variabilis | Quercus | Fagaceae |
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Liabum bourgeaui | Liabum | Asteraceae | |
Chrysanthemum x morifolium | Chrysanthemum | Asteraceae |
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Strychnos decussata | Strychnos | Loganiaceae |
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Eugenia myrcianthes | Eugenia | Myrtaceae | |
Jacobaea persoonii | Jacobaea | Asteraceae | |
Baccharis thesioides | Baccharis | Asteraceae | |
Ungernia minor | Ungernia | Amaryllidaceae |
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Pyrus ussuriensis | Pyrus | Rosaceae |
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Forsythia suspensa | Forsythia | Oleaceae |
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Crocus sieberi | Crocus | Iridaceae |
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Montanoa karwinskii | Montanoa | Asteraceae | |
Achillea arabica | Achillea | Asteraceae | |
Maytenus aquifolium | Maytenus | Celastraceae | |
Valeriana wolgensis | Valeriana | Caprifoliaceae | |
Cyanostegia microphylla | Cyanostegia | Lamiaceae | |
Maytenus cuzcoina | Maytenus | Celastraceae | |
Salix matsudana | Salix | Salicaceae |
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Ranunculus sceleratus | Ranunculus | Ranunculaceae |
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Excoecaria agallocha | Excoecaria | Euphorbiaceae |
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Curcuma kwangsiensis | Curcuma | Zingiberaceae |
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Euphorbia leuconeura | Euphorbia | Euphorbiaceae | |
Verbena bonariensis | Verbena | Verbenaceae |
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Paeonia veitchii | Paeonia | Paeoniaceae |
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Spatholobus suberectus | Spatholobus | Fabaceae |
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Meliosma lanceolata | Meliosma | Sabiaceae | |
Cordylanthus kingii | Cordylanthus | Orobanchaceae | |
Artemisia annua | Artemisia | Asteraceae |
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Hakea amplexicaulis | Hakea | Proteaceae | |
Echinochloa crus-galli | Echinochloa | Poaceae |
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Annona impressivenia | Annona | Annonaceae | |
Gynochthodes officinalis | Gynochthodes | Rubiaceae | |
Berberis lambertii | Berberis | Berberidaceae | |
Thunbergia grandiflora | Thunbergia | Acanthaceae |
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Zanthoxylum syncarpum | Zanthoxylum | Rutaceae | |
Poterium sanguisorba | Poterium | Rosaceae |
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Pygeum topengii | Pygeum | Rosaceae | |
Alseodaphne corneri | Alseodaphne | Lauraceae | |
Thymus piperella | Thymus | Lamiaceae |
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Forsteronia refracta | Forsteronia | Apocynaceae | |
Eragrostis viscosa | Eragrostis | Poaceae |
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Nauclea officinalis | Nauclea | Rubiaceae |
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Grewia mollis | Grewia | Malvaceae |
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Heterotheca grandiflora | Heterotheca | Asteraceae | |
Croton cumingii | Croton | Euphorbiaceae |
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Bersama yangambiensis | Bersama | Melianthaceae | |
Ruta pinnata | Ruta | Rutaceae |
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Disynaphia halimifolia | Disynaphia | Asteraceae | |
Sinocrassula indica | Sinocrassula | Crassulaceae | |
Kaunia saltensis | Kaunia | Asteraceae | |
Heliotropium floridum | Heliotropium | Heliotropiaceae | |
Castanopsis sclerophylla | Castanopsis | Fagaceae |
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Gymnocarpium robertianum | Gymnocarpium | Cystopteridaceae | |
Oncoba echinata | Oncoba | Salicaceae | |
Salvia dorrii | Salvia | Lamiaceae | |
Juglans nigra | Juglans | Juglandaceae |
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Teucrium depressum | Teucrium | Lamiaceae | |
Mangifera indica | Mangifera | Anacardiaceae |
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Aconitum nevadense | Aconitum | Ranunculaceae | |
Trichilia rubescens | Trichilia | Meliaceae | |
Conocephalum japonicum | Conocephalum | Conocephalaceae | |
Hovenia acerba | Hovenia | Rhamnaceae |
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Stevia polycephala | Stevia | Asteraceae | |
Pogostemon cablin | Pogostemon | Lamiaceae |
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Sophora angustifolia | Sophora | Fabaceae | |
Kaempferia marginata | Kaempferia | Zingiberaceae |
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Rhododendron formosanum | Rhododendron | Ericaceae | |
Toxicopueraria peduncularis | Toxicopueraria | Fabaceae | |
Vitex pinnata | Vitex | Lamiaceae |
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Fridericia chica | Fridericia | Bignoniaceae |
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Elaeocarpus fuscoides | Elaeocarpus | Elaeocarpaceae | |
Elephantopus mollis | Elephantopus | Asteraceae |
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Doodia picta | Doodia | Blechnaceae | |
Baphicacanthus cusia | Baphicacanthus | Acanthaceae |
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Calodendrum capense | Calodendrum | Rutaceae |
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Veronica chamaedrys | Veronica | Plantaginaceae |
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Stevia purpurea | Stevia | Asteraceae | |
Croton caudatus | Croton | Euphorbiaceae |
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Betula davurica | Betula | Betulaceae | |
Humulus scandens | Humulus | Cannabaceae |
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Oxera splendida | Oxera | Lamiaceae | |
Malus sylvestris | Malus | Rosaceae |
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Cratoxylum maingayi | Cratoxylum | Hypericaceae | |
Vitex agnus-castus | Vitex | Lamiaceae |
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Meconopsis horridula | Meconopsis | Papaveraceae |
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Cuphea infundibulum | Cuphea | Lythraceae | |
Glycosmis ovoidea | Glycosmis | Rutaceae |
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Argyranthemum frutescens | Argyranthemum | Asteraceae | |
Isocoma pluriflora | Isocoma | Asteraceae |
Ingredient ID: NPC287063
Formula: C28H36O3
Common Name | Tingenone |
IUPAC Name | (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione |
Canonical SMILES | C[C@@H]1C[C@@H]2[C@@](CC1=O)(C)CC[C@]1([C@@]2(C)CC[C@@]2(C1=CC=C1C2=CC(=O)C(=C1C)O)C)C |
Standard InCHI | InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,31H,9-13,15H2,1-6H3/t16-,23-,25+,26+,27-,28+/m1/s1 |
Standard InCHIKey | WSTYNZDAOAEEKG-GWJSGULQSA-N |
Ingredient External Links |
PubChem CID: 101520 ZINC ID: ZINC000005760627 ChEMBL ID: CHEMBL432519 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC287063] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Elymus repens | Elymus | Poaceae |
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Elaeagnus commutata | Elaeagnus | Elaeagnaceae |
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Adenopeltis colliguaya | Adenopeltis | Euphorbiaceae | |
Quercus mongolica | Quercus | Fagaceae |
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Cneorum pulverulentum | Cneorum | Rutaceae |
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Perityle vaseyi | Perityle | Asteraceae | |
Pedicularis condensata | Pedicularis | Orobanchaceae | |
Palafoxia rosea | Palafoxia | Asteraceae | |
Acacia pachyphloia | Acacia | Fabaceae | |
Chrozophora obliqua | Chrozophora | Euphorbiaceae |
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Senecio flavus | Senecio | Asteraceae |
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Salvia coulteri | Salvia | Lamiaceae | |
Porella swartziana | Porella | Porellaceae | |
Meconopsis napaulensis | Meconopsis | Papaveraceae |
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Rheum webbianum | Rheum | Polygonaceae |
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Mascarenhasia arborescens | Mascarenhasia | Apocynaceae | |
Eucalyptus flocktoniae | Eucalyptus | Myrtaceae | |
Kummerowia striata | Kummerowia | Fabaceae |
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Thymbra spicata | Thymbra | Lamiaceae |
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Phoebe formosana | Phoebe | Lauraceae | |
Sida cordifolia | Sida | Malvaceae |
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Millettia conraui | Millettia | Fabaceae |
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Centaurea seridis | Centaurea | Asteraceae | |
Centipeda cunninghami | Centipeda | Asteraceae | |
Flindersia brayleyana | Flindersia | Rutaceae | |
Satureja cuneifolia | Satureja | Lamiaceae |
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Consolida ajacis | Consolida | Ranunculaceae |
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Chisocheton siamensis | Chisocheton | Meliaceae |
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Lavandula dentata | Lavandula | Lamiaceae |
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Chrysanthemum x morifolium | Chrysanthemum | Asteraceae |
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Pyrus ussuriensis | Pyrus | Rosaceae |
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Maytenus aquifolium | Maytenus | Celastraceae | |
Valeriana wolgensis | Valeriana | Caprifoliaceae | |
Cyanostegia microphylla | Cyanostegia | Lamiaceae | |
Maytenus cuzcoina | Maytenus | Celastraceae | |
Ranunculus sceleratus | Ranunculus | Ranunculaceae |
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Euphorbia leuconeura | Euphorbia | Euphorbiaceae | |
Heracleum sphondylium | Heracleum | Apiaceae |
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Bituminaria bituminosa | Bituminaria | Fabaceae |
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Centaurea hololeuca | Centaurea | Asteraceae | |
Maytenus retusa | Maytenus | Celastraceae | |
Peperomia heyneana | Peperomia | Piperaceae | |
Beaumontia brevituba | Beaumontia | Apocynaceae | |
Dalbergia stipulacea | Dalbergia | Fabaceae |
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Iryanthera juruensis | Iryanthera | Myristicaceae |
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Astragalus pamirensis | Astragalus | Fabaceae | |
Echinochloa crus-galli | Echinochloa | Poaceae |
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Coleus coerulescens | Coleus | Lamiaceae | |
Mandragora officinarum | Mandragora | Solanaceae |
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Berberis lambertii | Berberis | Berberidaceae | |
Thunbergia grandiflora | Thunbergia | Acanthaceae |
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Zanthoxylum syncarpum | Zanthoxylum | Rutaceae | |
Kokoona ochracea | Kokoona | Celastraceae |
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Jungermannia obovata | Jungermannia | Jungermanniaceae | |
Turraeanthus mannii | Turraeanthus | Meliaceae | |
Coleus garckeanus | Coleus | Lamiaceae | |
Solanum sisymbriifolium | Solanum | Solanaceae |
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Gerbera piloselloides | Gerbera | Asteraceae |
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Salacia chinensis | Salacia | Celastraceae |
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Rohdea wattii | Rohdea | Asparagaceae | |
Merremia umbellata | Merremia | Convolvulaceae |
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Isocoma pluriflora | Isocoma | Asteraceae |
Ingredient ID: NPC211230
Formula: C28H36O4
Common Name | Tingenin B |
IUPAC Name | (6aS,6bS,8aR,9S,11R,12aS,14aR)-3,9-dihydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione |
Canonical SMILES | C[C@@H]1C[C@@H]2[C@@]([C@@H](C1=O)O)(C)CC[C@]1([C@@]2(C)CC[C@@]2(C1=CC=C1C2=CC(=O)C(=C1C)O)C)C |
Standard InCHI | InChI=1S/C28H36O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h7-8,14-15,21,24,31-32H,9-13H2,1-6H3/t15-,21-,24-,25+,26-,27-,28+/m1/s1 |
Standard InCHIKey | QIRUFAFQGKOTKA-ZRWKYKNNSA-N |
Ingredient External Links |
PubChem CID: 73147 ZINC ID: ZINC000005823171 ChEMBL ID: CHEMBL402975 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC211230] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Elaeagnus commutata | Elaeagnus | Elaeagnaceae |
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Adenopeltis colliguaya | Adenopeltis | Euphorbiaceae | |
Quercus mongolica | Quercus | Fagaceae |
![]() ![]() |
Cneorum pulverulentum | Cneorum | Rutaceae |
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Perityle vaseyi | Perityle | Asteraceae | |
Pedicularis condensata | Pedicularis | Orobanchaceae | |
Palafoxia rosea | Palafoxia | Asteraceae | |
Chrozophora obliqua | Chrozophora | Euphorbiaceae |
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Senecio flavus | Senecio | Asteraceae |
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Salvia coulteri | Salvia | Lamiaceae | |
Porella swartziana | Porella | Porellaceae | |
Meconopsis napaulensis | Meconopsis | Papaveraceae |
![]() ![]() |
Rheum webbianum | Rheum | Polygonaceae |
![]() ![]() |
Mascarenhasia arborescens | Mascarenhasia | Apocynaceae | |
Eucalyptus flocktoniae | Eucalyptus | Myrtaceae | |
Kummerowia striata | Kummerowia | Fabaceae |
![]() ![]() |
Thymbra spicata | Thymbra | Lamiaceae |
![]() ![]() |
Phoebe formosana | Phoebe | Lauraceae | |
Sida cordifolia | Sida | Malvaceae |
![]() ![]() |
Millettia conraui | Millettia | Fabaceae |
![]() |
Centaurea seridis | Centaurea | Asteraceae | |
Flindersia brayleyana | Flindersia | Rutaceae | |
Satureja cuneifolia | Satureja | Lamiaceae |
![]() |
Consolida ajacis | Consolida | Ranunculaceae |
![]() |
Heracleum sphondylium | Heracleum | Apiaceae |
![]() ![]() |
Bituminaria bituminosa | Bituminaria | Fabaceae |
![]() |
Maytenus retusa | Maytenus | Celastraceae | |
Dalbergia stipulacea | Dalbergia | Fabaceae |
![]() ![]() |
Echinochloa crus-galli | Echinochloa | Poaceae |
![]() ![]() |
Berberis lambertii | Berberis | Berberidaceae | |
Thunbergia grandiflora | Thunbergia | Acanthaceae |
![]() ![]() |
Zanthoxylum syncarpum | Zanthoxylum | Rutaceae | |
Jungermannia obovata | Jungermannia | Jungermanniaceae | |
Turraeanthus mannii | Turraeanthus | Meliaceae | |
Coleus garckeanus | Coleus | Lamiaceae | |
Solanum sisymbriifolium | Solanum | Solanaceae |
![]() |
Gerbera piloselloides | Gerbera | Asteraceae |
![]() ![]() |
Salacia chinensis | Salacia | Celastraceae |
![]() ![]() |
Merremia umbellata | Merremia | Convolvulaceae |
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Ingredient ID: NPC174167
Formula: C30H40O4
Common Name | Pristimerin |
IUPAC Name | methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate |
Canonical SMILES | COC(=O)[C@]1(C)CC[C@]2([C@@H](C1)[C@]1(C)CC[C@@]3(C(=CC=C4C3=CC(=O)C(=C4C)O)[C@]1(CC2)C)C)C |
Standard InCHI | InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1 |
Standard InCHIKey | JFACETXYABVHFD-WXPPGMDDSA-N |
Ingredient External Links |
PubChem CID: 159516 ZINC ID: ZINC000004097723 ChEMBL ID: CHEMBL54804 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC174167] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Citrus hybr | Citrus | Rutaceae | |
Elymus repens | Elymus | Poaceae |
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Acacia pachyphloia | Acacia | Fabaceae | |
Iris pallida | Iris | Iridaceae |
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Pyrus x bretschneideri | Pyrus | Rosaceae | |
Solidago chinensis | Solidago | Asteraceae | |
Centipeda cunninghami | Centipeda | Asteraceae | |
Chisocheton siamensis | Chisocheton | Meliaceae |
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Stemona tuberosa | Stemona | Stemonaceae |
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Lavandula dentata | Lavandula | Lamiaceae |
![]() ![]() |
Chrysanthemum x morifolium | Chrysanthemum | Asteraceae |
![]() |
Pyrus ussuriensis | Pyrus | Rosaceae |
![]() ![]() |
Maytenus aquifolium | Maytenus | Celastraceae | |
Valeriana wolgensis | Valeriana | Caprifoliaceae | |
Cyanostegia microphylla | Cyanostegia | Lamiaceae | |
Maytenus cuzcoina | Maytenus | Celastraceae | |
Ranunculus sceleratus | Ranunculus | Ranunculaceae |
![]() ![]() |
Euphorbia leuconeura | Euphorbia | Euphorbiaceae | |
Achillea micrantha | Achillea | Asteraceae | |
Centaurea hololeuca | Centaurea | Asteraceae | |
Plazia daphnoides | Plazia | Asteraceae | |
Euphorbia cheiradenia | Euphorbia | Euphorbiaceae | |
Maytenus retusa | Maytenus | Celastraceae | |
Peperomia heyneana | Peperomia | Piperaceae | |
Beaumontia brevituba | Beaumontia | Apocynaceae | |
Iryanthera juruensis | Iryanthera | Myristicaceae |
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Maytenus apurimacensis | Maytenus | Celastraceae | |
Astragalus pamirensis | Astragalus | Fabaceae | |
Echinochloa crus-galli | Echinochloa | Poaceae |
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Coleus coerulescens | Coleus | Lamiaceae | |
Mandragora officinarum | Mandragora | Solanaceae |
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Berberis lambertii | Berberis | Berberidaceae | |
Thunbergia grandiflora | Thunbergia | Acanthaceae |
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Zanthoxylum syncarpum | Zanthoxylum | Rutaceae | |
Bupleurum falcatum | Bupleurum | Apiaceae |
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Crucianella maritima | Crucianella | Rubiaceae | |
Rheum maximowiczii | Rheum | Polygonaceae |
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Magnolia officinalis | Magnolia | Magnoliaceae |
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Bidens cernua | Bidens | Asteraceae | |
Pentzia calva | Pentzia | Asteraceae | |
Tetracera asiatica | Tetracera | Dilleniaceae | |
Kadsura heteroclita | Kadsura | Schisandraceae |
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Symphonia globulifera | Symphonia | Clusiaceae |
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Rohdea wattii | Rohdea | Asparagaceae | |
Isocoma pluriflora | Isocoma | Asteraceae |
Ingredient ID: NPC157919
Formula: C30H38O4
Common Name | n.a. |
IUPAC Name | methyl (2R,4aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6,6a,9,14a-hexamethyl-11-oxo-3,4,5,13,14,14b-hexahydro-1H-picene-2-carboxylate |
Canonical SMILES | COC(=O)[C@]1(C)CC[C@]2([C@@H](C1)[C@]1(C)CC[C@@]3(C(=CC=C4C3=CC(=O)C(=C4C)O)C1=C(C2)C)C)C |
Standard InCHI | InChI=1S/C30H38O4/c1-17-15-27(3)10-11-28(4,26(33)34-7)16-23(27)30(6)13-12-29(5)20(24(17)30)9-8-19-18(2)25(32)22(31)14-21(19)29/h8-9,14,23,32H,10-13,15-16H2,1-7H3/t23-,27-,28-,29-,30+/m1/s1 |
Standard InCHIKey | CMKHWUBEVSIFHL-HVZOYMJXSA-N |
Ingredient External Links |
PubChem CID: 21636463 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD134375] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Echinochloa crus-galli | Echinochloa | Poaceae |
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Berberis lambertii | Berberis | Berberidaceae | |
Thunbergia grandiflora | Thunbergia | Acanthaceae |
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Zanthoxylum syncarpum | Zanthoxylum | Rutaceae |
Ingredient ID: NPC112454
Formula: C29H38O4
Common Name | Celastrol |
IUPAC Name | (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid |
Canonical SMILES | O=C1C=C2C(=CC=C3[C@@]2(C)CC[C@@]2([C@]3(C)CC[C@@]3([C@H]2C[C@@](C)(CC3)C(=O)O)C)C)C(=C1O)C |
Standard InCHI | InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1 |
Standard InCHIKey | KQJSQWZMSAGSHN-JJWQIEBTSA-N |
Ingredient External Links |
PubChem CID: 122724 ChEMBL ID: CHEMBL301982 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD43873] Database: NPASS [NPC112454] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Centella asiatica | Centella | Apiaceae |
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Tripterygium wilfordii | Tripterygium | Celastraceae |
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Taraxacum platycarpum | Taraxacum | Asteraceae |
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Taraxacum borealisinense | Taraxacum | Asteraceae | |
Taraxacum coreanum | Taraxacum | Asteraceae | |
Taraxacum officinale | Taraxacum | Asteraceae |
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Taraxacum mongolicum | Taraxacum | Asteraceae |
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Echinochloa crus-galli | Echinochloa | Poaceae |
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Berberis lambertii | Berberis | Berberidaceae | |
Thunbergia grandiflora | Thunbergia | Acanthaceae |
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Zanthoxylum syncarpum | Zanthoxylum | Rutaceae | |
Kokoona ochracea | Kokoona | Celastraceae |
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Celastrus orbiculatus | Celastrus | Celastraceae |
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Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC112454 | C29H38O4 | Celastrol | 450.28 | 2.4831 | 4.21 | 7.98 | 4 | 2 | 74.6 | 9 | 5 | 33 | 1 |
NPC157919 | C30H38O4 | methyl (2R,4aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6,6a,9,14a-hexamethyl-11-oxo-3,4,5,13,14,14b-hexahydro-1H-picene-2-carboxylate | 462.2770097 | 3.5119 | 4.32 | 7.422 | 4 | 1 | 63.6 | 2 | 5 | 34 | 1 |
NPC174167 | C30H40O4 | Pristimerin | 464.29 | 2.7341 | 4.32 | 8.301 | 4 | 1 | 63.6 | 10 | 5 | 34 | 1 |
NPC211230 | C28H36O4 | Tingenin B | 436.26 | 1.4807 | 4.1 | 6.191 | 4 | 2 | 74.6 | 8 | 5 | 32 | 1 |
NPC287063 | C28H36O3 | Tingenone | 420.27 | 2.1329 | 4.21 | 7.159 | 3 | 1 | 54.37 | 7 | 5 | 31 | 1 |
NPC292419 | C30H52O | 428.4018163 | 2.4864 | 4.65 | 13.026 | 1 | 1 | 20.23 | 9 | 5 | 31 | 1 | |
NPC307063 | C30H50O | Friedeline | 426.39 | 3.2175 | 4.65 | 12.613 | 1 | 0 | 17.07 | 8 | 5 | 31 | 1 |
NPC68148 | C28H36O4 | 20Alpha-Hydroxytingenone | 436.26 | 1.5324 | 4.1 | 6.43 | 4 | 2 | 74.6 | 8 | 5 | 32 | 1 |