Ingredient ID: NPC88686
Formula: C32H52O2
Common Name | n.a. |
IUPAC Name | [(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate |
Canonical SMILES | CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@@]2(C1=CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C)C |
Standard InCHI | InChI=1S/C32H52O2/c1-21(33)34-26-13-17-30(7)22(28(26,4)5)11-15-31(8)23-10-14-29(6)19-18-27(2,3)20-25(29)32(23,9)16-12-24(30)31/h10,22,24-26H,11-20H2,1-9H3/t22-,24+,25+,26-,29-,30-,31-,32+/m0/s1 |
Standard InCHIKey | YWJGYBXHXATAQY-BOTWUFHUSA-N |
Ingredient External Links |
PubChem CID: 94225 ZINC ID: ZINC000031334747 |
Plant-Ingredient Association Reference |
Database: TCMID [33761] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Euphorbia antiquorum | Euphorbia | Euphorbiaceae | |
Codonopsis pilosula | Codonopsis | Campanulaceae | |
Atractylodes macrocephala | Atractylodes | Asteraceae | |
Artemisia vestita | Artemisia | Asteraceae | |
Echinopsis radix | Echinopsis | Cactaceae | |
Artemisia chinensis | Artemisia | Asteraceae | |
Codonopsis radix | Codonopsis | Campanulaceae | |
Koelpinia linearis | Koelpinia | Asteraceae | |
Pseudostellaria heterophylla | Pseudostellaria | Caryophyllaceae | |
Cichorium intybus | Cichorium | Asteraceae |
Ingredient ID: NPC52110
Formula: C5H3Br2NO2
Common Name | n.a. |
IUPAC Name | 4,5-dibromo-1H-pyrrole-2-carboxylic acid |
Canonical SMILES | Brc1[nH]c(cc1Br)C(=O)O |
Standard InCHI | InChI=1S/C5H3Br2NO2/c6-2-1-3(5(9)10)8-4(2)7/h1,8H,(H,9,10) |
Standard InCHIKey | ZUROCNHARMFRKA-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 161830 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD17496] Database: NPASS [NPC52110] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC39250
Formula: C6H10N4
Common Name | n.a. |
IUPAC Name | 5-[(E)-3-aminoprop-1-enyl]-1H-imidazol-2-amine |
Canonical SMILES | NC/C=C/c1c[nH]c(=N)[nH]1 |
Standard InCHI | InChI=1S/C6H10N4/c7-3-1-2-5-4-9-6(8)10-5/h1-2,4H,3,7H2,(H3,8,9,10)/b2-1+ |
Standard InCHIKey | YFJXNGUQXKFQAO-OWOJBTEDSA-N |
Ingredient External Links |
PubChem CID: 10820593 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD158548] Database: NPASS [NPC39250] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC308020
Formula: C29H26Br6N4O11
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | O[C@@H](COc1c(Br)cc(cc1Br)[C@H](CNC(=O)C1=NO[C@@]2(C1)C=C(Br)C(=O)[C@H]([C@@H]2O)Br)O)CNC(=O)C1=NO[C@@]2(C1)C=C(Br)C(=O)[C@H]([C@@H]2O)Br |
Standard InCHI | InChI=1S/C29H26Br6N4O11/c30-12-1-10(18(41)8-37-27(47)17-6-29(50-39-17)4-15(33)22(43)20(35)25(29)45)2-13(31)23(12)48-9-11(40)7-36-26(46)16-5-28(49-38-16)3-14(32)21(42)19(34)24(28)44/h1-4,11,18-20,24-25,40-41,44-45H,5-9H2,(H,36,46)(H,37,47)/t11-,18+,19-,20-,24+,25+,28-,29-/m1/s1 |
Standard InCHIKey | CFXBKEVRDPAWHM-ZBUVAEISSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD145278] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
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: NPASS [NPC307063] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Citrus hybr | Citrus | Rutaceae | |
Ophiorrhiza liukiuensis | Ophiorrhiza | Rubiaceae | |
Phoenix loureiroi | Phoenix | Arecaceae | |
Artemisia montana | Artemisia | Asteraceae | |
Dryopteris crenata | Dryopteris | Dryopteridaceae | |
Thalictrum longistylum | Thalictrum | Ranunculaceae | |
Clematis hexapetala | Clematis | Ranunculaceae | |
Trichilia hirta | Trichilia | Meliaceae | |
Glycyrrhiza squamulosa | Glycyrrhiza | Fabaceae | |
Hopea jucunda | Hopea | Dipterocarpaceae | |
Silene fortunei | Silene | Caryophyllaceae | |
Neolitsea dealbata | Neolitsea | Lauraceae | |
Elymus repens | Elymus | Poaceae | |
Eurybia divaricata | Eurybia | Asteraceae | |
Echinops grijsii | Echinops | Asteraceae | |
Matricaria parthenium | Matricaria | Asteraceae | |
Centaurea cadmea | Centaurea | Asteraceae | |
Atylosia trinervia | Atylosia | Fabaceae | |
Teucrium leucocladum | Teucrium | Lamiaceae | |
Elaeagnus commutata | Elaeagnus | Elaeagnaceae | |
Salvia parryi | Salvia | Lamiaceae | |
Pluchea sericea | Pluchea | Asteraceae | |
Ania latifolia | Ania | Orchidaceae | |
Eucalyptus froggattii | Eucalyptus | Myrtaceae | |
Adenopeltis colliguaya | Adenopeltis | Euphorbiaceae | |
Macaranga tanarius | Macaranga | Euphorbiaceae | |
Iris ensata | Iris | Iridaceae | |
Silene inflata | Silene | Caryophyllaceae | |
Thesium humile | Thesium | Thesiaceae | |
Peucedanum longifolium | Peucedanum | Apiaceae | |
Conyza canadensis | Conyza | Asteraceae | |
Swartzia madagascariensis | Swartzia | Fabaceae | |
Pulicaria wightiana | Pulicaria | Asteraceae | |
Euphorbia iberica | Euphorbia | Euphorbiaceae | |
Coreopsis fasciculata | Coreopsis | Asteraceae | |
Quercus mongolica | Quercus | Fagaceae | |
Cneorum pulverulentum | Cneorum | Rutaceae | |
Aloe indica | Aloe | Asphodelaceae | |
Swertia corymbosa | Swertia | Gentianaceae | |
Perityle vaseyi | Perityle | Asteraceae | |
Carpinus cordata | Carpinus | Betulaceae | |
Gymnadenia conopsea | Gymnadenia | Orchidaceae | |
Petasites georgicus | Petasites | Asteraceae | |
Balanophora harlandii | Balanophora | Balanophoraceae | |
Syzygium jambos | Syzygium | Myrtaceae | |
Pedicularis condensata | Pedicularis | Orobanchaceae | |
Pistacia mexicana | Pistacia | Anacardiaceae | |
Selinum carvifolium | Selinum | Apiaceae | |
Palafoxia rosea | Palafoxia | Asteraceae | |
Eucalyptus regnans | Eucalyptus | Myrtaceae | |
Acacia pachyphloia | Acacia | Fabaceae | |
Mangifera persiciformis | Mangifera | Anacardiaceae | |
Chrozophora obliqua | Chrozophora | Euphorbiaceae | |
Iris pallida | Iris | Iridaceae | |
Ipomoea muelleri | Ipomoea | Convolvulaceae | |
Dolichandrone crispa | Dolichandrone | Bignoniaceae | |
Narcissus concolor | Narcissus | Amaryllidaceae | |
Senecio flavus | Senecio | Asteraceae | |
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 | |
Agave shawii | Agave | Asparagaceae | |
Thapsia transtagana | Thapsia | Apiaceae | |
Meconopsis napaulensis | Meconopsis | Papaveraceae | |
Achyranthes bidentata | Achyranthes | Amaranthaceae | |
Rheum webbianum | Rheum | Polygonaceae | |
Jacobaea adonidifolia | Jacobaea | Asteraceae | |
Mascarenhasia arborescens | Mascarenhasia | Apocynaceae | |
Acacia sparsiflora | Acacia | Fabaceae | |
Eucalyptus flocktoniae | Eucalyptus | Myrtaceae | |
Abutilon grandiflorum | Abutilon | Malvaceae | |
Kummerowia striata | Kummerowia | Fabaceae | |
Euonymus japonicus | Euonymus | Celastraceae | |
Senecio desfontainei | Senecio | Asteraceae | |
Pyrus x bretschneideri | Pyrus | Rosaceae | |
Camellia sasanqua | Camellia | Theaceae | |
Thymbra spicata | Thymbra | Lamiaceae | |
Solidago chinensis | Solidago | Asteraceae | |
Drypetes littoralis | Drypetes | Putranjivaceae | |
Phoebe formosana | Phoebe | Lauraceae | |
Edgeworthia gardneri | Edgeworthia | Thymelaeaceae | |
Sida cordifolia | Sida | Malvaceae | |
Blainvillea rhomboidea | Blainvillea | Asteraceae | |
Werneria decora | Werneria | Asteraceae | |
Pristimera indica | Pristimera | Celastraceae | |
Senecio chinensis | Senecio | Asteraceae | |
Micromonas pusilla | Micromonas | Mamiellaceae | |
Acacia glaucescens | Acacia | Fabaceae | |
Clematis terniflora var. mandshurica | Clematis | Ranunculaceae | |
Thuja plicata | Thuja | Cupressaceae | |
Millettia conraui | Millettia | Fabaceae | |
Plumbago pulchella | Plumbago | Plumbaginaceae | |
Centaurea seridis | Centaurea | Asteraceae | |
Polygala ruwenzoriensis | Polygala | Polygalaceae | |
Astrantia major | Astrantia | Apiaceae | |
Centipeda cunninghami | Centipeda | Asteraceae | |
Flindersia brayleyana | Flindersia | Rutaceae | |
Agave utahensis | Agave | Asparagaceae | |
Satureja cuneifolia | Satureja | Lamiaceae | |
Thermopsis lanceolata | Thermopsis | Fabaceae | |
Rumex conglomeratus | Rumex | Polygonaceae | |
Consolida ajacis | Consolida | Ranunculaceae | |
Convallaria keiskei | Convallaria | Asparagaceae | |
Chisocheton siamensis | Chisocheton | Meliaceae | |
Thryptomene kochii | Thryptomene | Myrtaceae | |
Polemonium caeruleum | Polemonium | Polemoniaceae | |
Viburnum rhytidophyllum | Viburnum | Adoxaceae | |
Cajanus cajan | Cajanus | Fabaceae | |
Clarkia unguiculata | Clarkia | Onagraceae | |
Raukaua simplex | Raukaua | Araliaceae | |
Plectocephalus chilensis | Plectocephalus | Asteraceae | |
Euphorbia aellenii | Euphorbia | Euphorbiaceae | |
Prunus japonica | Prunus | Rosaceae | |
Valeriana cardamines | Valeriana | Caprifoliaceae | |
Phlegmariurus fordii | Phlegmariurus | Lycopodiaceae | |
Ephedra aphylla | Ephedra | Ephedraceae | |
Fagraea fragrans | Fagraea | Gentianaceae | |
Uncaria lancifolia | Uncaria | Rubiaceae | |
Aniba parviflora | Aniba | Lauraceae | |
Ormosia flava | Ormosia | Fabaceae | |
Lavandula dentata | Lavandula | Lamiaceae | |
Quercus variabilis | Quercus | Fagaceae | |
Liabum bourgeaui | Liabum | Asteraceae | |
Crepis foetida | Crepis | Asteraceae | |
Turpinia ternata | Turpinia | Staphyleaceae | |
Adina rubescens | Adina | Rubiaceae | |
Cirsium japonicum | Cirsium | Asteraceae | |
Poa sphondylodes | Poa | Poaceae | |
Dorstenia lindeniana | Dorstenia | Moraceae | |
Jaborosa caulescens | Jaborosa | Solanaceae | |
Dioscoreophyllum cumminsii | Dioscoreophyllum | Menispermaceae | |
Myrtus tomentosa | Myrtus | Myrtaceae | |
Quercus canariensis | Quercus | Fagaceae | |
Chrysanthemum x morifolium | Chrysanthemum | Asteraceae | |
Soulamea pancheri | Soulamea | Simaroubaceae | |
Phytolacca acinosa | Phytolacca | Phytolaccaceae | |
Pinus longifolia | Pinus | Pinaceae | |
Garcinia hombroniana | Garcinia | Clusiaceae | |
Baccharis thesioides | Baccharis | Asteraceae | |
Dendrobium chrysotoxum | Dendrobium | Orchidaceae | |
Stenostomum acutatum | Stenostomum | Rubiaceae | |
Verbena triphylla | Verbena | Verbenaceae | |
Cardiospermum halicacabum | Cardiospermum | Sapindaceae | |
Aglaia elaeagnoidea | Aglaia | Meliaceae | |
Punica granatum | Punica | Lythraceae | |
Pyrus ussuriensis | Pyrus | Rosaceae | |
Urtica triangularis | Urtica | Urticaceae | |
Strychnos ledermannii | Strychnos | Loganiaceae | |
Nuphar lutea | Nuphar | Nymphaeaceae | |
Pouzolzia occidentalis | Pouzolzia | Urticaceae | |
Sciadotenia toxifera | Sciadotenia | Menispermaceae | |
Centaurea nigrescens | Centaurea | Asteraceae | |
Achillea arabica | Achillea | Asteraceae | |
Maytenus aquifolium | Maytenus | Celastraceae | |
Piper arboreum | Piper | Piperaceae | |
Durio zibethinus | Durio | Malvaceae | |
Valeriana wolgensis | Valeriana | Caprifoliaceae | |
Parastrephia lepidophylla | Parastrephia | Asteraceae | |
Phlogacanthus thyrsiflorus | Phlogacanthus | Acanthaceae | |
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 | |
Aristolochia elegans | Aristolochia | Aristolochiaceae | |
Excoecaria agallocha | Excoecaria | Euphorbiaceae | |
Penstemon secundiflorus | Penstemon | Plantaginaceae | |
Aglaia forbesii | Aglaia | Meliaceae | |
Curcuma kwangsiensis | Curcuma | Zingiberaceae | |
Cuphea carthagenensis | Cuphea | Lythraceae | |
Euphorbia leuconeura | Euphorbia | Euphorbiaceae | |
Ozoroa insignis | Ozoroa | Anacardiaceae | |
Valeriana microphylla | Valeriana | Caprifoliaceae | |
Hydnocarpus hainanensis | Hydnocarpus | Achariaceae | |
Ruta microcarpa | Ruta | Rutaceae | |
Crinum defixum | Crinum | Amaryllidaceae | |
Guettarda eximia | Guettarda | Rubiaceae | |
Achillea micrantha | Achillea | Asteraceae | |
Leptosyne bigelovii | Leptosyne | Asteraceae | |
Heracleum sphondylium | Heracleum | Apiaceae | |
Micranthemum umbrosum | Micranthemum | Plantaginaceae | |
Bituminaria bituminosa | Bituminaria | Fabaceae | |
Hypolaena fastigiata | Hypolaena | Restionaceae | |
Imperata cylindrica | Imperata | Poaceae | |
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 | |
Gypothamnium pinifolium | Gypothamnium | Asteraceae | |
Euphorbia cheiradenia | Euphorbia | Euphorbiaceae | |
Peperomia heyneana | Peperomia | Piperaceae | |
Sophora secundiflora | Sophora | Fabaceae | |
Beaumontia brevituba | Beaumontia | Apocynaceae | |
Pedicularis densispica | Pedicularis | Orobanchaceae | |
Spatholobus suberectus | Spatholobus | Fabaceae | |
Centaurea aemulans | Centaurea | Asteraceae | |
Meliosma lanceolata | Meliosma | Sabiaceae | |
Tulipa silvestris | Tulipa | Liliaceae | |
Fritillaria taipaiensis | Fritillaria | Liliaceae | |
Solanum chacoense | Solanum | Solanaceae | |
Dalbergia stipulacea | Dalbergia | Fabaceae | |
Dahlstedtia pinnata | Dahlstedtia | Fabaceae | |
Anomospermum grandifolium | Anomospermum | Menispermaceae | |
Cordylanthus kingii | Cordylanthus | Orobanchaceae | |
Cheilanthes mysurensis | Cheilanthes | Pteridaceae | |
Penianthus zenkeri | Penianthus | Menispermaceae | |
Agastache rugosa | Agastache | Lamiaceae | |
Annona cherimolia | Annona | Annonaceae | |
Iryanthera juruensis | Iryanthera | Myristicaceae | |
Maytenus apurimacensis | Maytenus | Celastraceae | |
Cassia javanica subsp. nodosa | Cassia | Fabaceae | |
Mimosa invisa | Mimosa | Fabaceae | |
Ruscus aculeatus | Ruscus | Asparagaceae | |
Astragalus pamirensis | Astragalus | Fabaceae | |
Artemisia annua | Artemisia | Asteraceae | |
Hakea amplexicaulis | Hakea | Proteaceae | |
Daphne papyracea | Daphne | Thymelaeaceae | |
Echinochloa crus-galli | Echinochloa | Poaceae | |
Erinus alpinus | Erinus | Plantaginaceae | |
Micromelum minutum | Micromelum | Rutaceae | |
Geranium macrorrhizum | Geranium | Geraniaceae | |
Valeriana hardwickii | Valeriana | Caprifoliaceae | |
Senecio macrophyllus | Senecio | Asteraceae | |
Maclura aurantiaca | Maclura | Moraceae | |
Coleus coerulescens | Coleus | Lamiaceae | |
Annona impressivenia | Annona | Annonaceae | |
Mandragora officinarum | Mandragora | Solanaceae | |
Berberis lambertii | Berberis | Berberidaceae | |
Thunbergia grandiflora | Thunbergia | Acanthaceae | |
Onoseris lopezii | Onoseris | Asteraceae | |
Zanthoxylum syncarpum | Zanthoxylum | Rutaceae | |
Artemisia vestita | Artemisia | Asteraceae | |
Rosa hybrid cultivar | Rosa | Rosaceae | |
Aster altaicus | Aster | Asteraceae | |
Xyris pterygoblephara | Xyris | Xyridaceae | |
Poterium sanguisorba | Poterium | Rosaceae | |
Plumeria alba | Plumeria | Apocynaceae | |
Pygeum topengii | Pygeum | Rosaceae | |
Dovyalis abyssinica | Dovyalis | Salicaceae | |
Aster tataricus | Aster | Asteraceae | |
Miconia myriantha | Miconia | Melastomataceae | |
Radermachera xylocarpa | Radermachera | Bignoniaceae | |
Alseodaphne corneri | Alseodaphne | Lauraceae | |
Thymus piperella | Thymus | Lamiaceae | |
Populus grandidentata | Populus | Salicaceae | |
Forsteronia refracta | Forsteronia | Apocynaceae | |
Eragrostis viscosa | Eragrostis | Poaceae | |
Nauclea officinalis | Nauclea | Rubiaceae | |
Grewia mollis | Grewia | Malvaceae | |
Eupatorium hyssopifolium | Eupatorium | Asteraceae | |
Astragalus gummifer | Astragalus | Fabaceae | |
Heterotheca grandiflora | Heterotheca | Asteraceae | |
Croton cumingii | Croton | Euphorbiaceae | |
Bersama yangambiensis | Bersama | Melianthaceae | |
Ruta pinnata | Ruta | Rutaceae | |
Khaya grandifoliola | Khaya | Meliaceae | |
Disynaphia halimifolia | Disynaphia | Asteraceae | |
Sinoadina racemosa | Sinoadina | Rubiaceae | |
Sinocrassula indica | Sinocrassula | Crassulaceae | |
Agave huachucensis | Agave | Asparagaceae | |
Kaunia saltensis | Kaunia | Asteraceae | |
Heliotropium floridum | Heliotropium | Heliotropiaceae | |
Castanopsis sclerophylla | Castanopsis | Fagaceae | |
Gymnocarpium robertianum | Gymnocarpium | Cystopteridaceae | |
Picea breweriana | Picea | Pinaceae | |
Oncoba echinata | Oncoba | Salicaceae | |
Salvia dorrii | Salvia | Lamiaceae | |
Juglans nigra | Juglans | Juglandaceae | |
Teucrium depressum | Teucrium | Lamiaceae | |
Mangifera indica | Mangifera | Anacardiaceae | |
Maytenus horrida | Maytenus | Celastraceae | |
Aconitum nevadense | Aconitum | Ranunculaceae | |
Baileya multiradiata | Baileya | Asteraceae | |
Trichilia rubescens | Trichilia | Meliaceae | |
Conocephalum japonicum | Conocephalum | Conocephalaceae | |
Hovenia acerba | Hovenia | Rhamnaceae | |
Erigeron linifolius | Erigeron | Asteraceae | |
Stevia polycephala | Stevia | Asteraceae | |
Pogostemon cablin | Pogostemon | Lamiaceae | |
Triglochin maritima | Triglochin | Juncaginaceae | |
Virola elongata | Virola | Myristicaceae | |
Sophora angustifolia | Sophora | Fabaceae | |
Kaempferia marginata | Kaempferia | Zingiberaceae | |
Lupinus cosentinii | Lupinus | Fabaceae | |
Rhododendron formosanum | Rhododendron | Ericaceae | |
Toxicopueraria peduncularis | Toxicopueraria | Fabaceae | |
Vitex pinnata | Vitex | Lamiaceae | |
Fridericia chica | Fridericia | Bignoniaceae | |
Jungermannia obovata | Jungermannia | Jungermanniaceae | |
Quercus suber | Quercus | Fagaceae | |
Elaeocarpus fuscoides | Elaeocarpus | Elaeocarpaceae | |
Crucianella maritima | Crucianella | Rubiaceae | |
Pittocaulon velatum | Pittocaulon | Asteraceae | |
Trichilia claussenii | Trichilia | Meliaceae | |
Munronia delavayi | Munronia | Meliaceae | |
Myristica argentea | Myristica | Myristicaceae | |
Chlamydomonas reinhardtii | Chlamydomonas | Chlamydomonadaceae | |
Elephantopus mollis | Elephantopus | Asteraceae | |
Doodia picta | Doodia | Blechnaceae | |
Allium neapolitanum | Allium | Amaryllidaceae | |
Morinda citrifolia | Morinda | Rubiaceae | |
Gomortega keule | Gomortega | Gomortegaceae | |
Lonchocarpus urucu | Lonchocarpus | Fabaceae | |
Portulaca oleracea | Portulaca | Portulacaceae | |
Eucalyptus cordata | Eucalyptus | Myrtaceae | |
Yucca flexilis | Yucca | Asparagaceae | |
Cassia roxburghii | Cassia | Fabaceae | |
Cycas armstrongii | Cycas | Cycadaceae | |
Codonopsis radix | Codonopsis | Campanulaceae | |
Viburnum davidii | Viburnum | Adoxaceae | |
Alnus firma | Alnus | Betulaceae | |
Jasonia montana | Jasonia | Asteraceae | |
Turraeanthus mannii | Turraeanthus | Meliaceae | |
Cycas revoluta | Cycas | Cycadaceae | |
Agathosma scaberula | Agathosma | Rutaceae | |
Coleus garckeanus | Coleus | Lamiaceae | |
Nephelium mutabile | Nephelium | Sapindaceae | |
Calodendrum capense | Calodendrum | Rutaceae | |
Veronica chamaedrys | Veronica | Plantaginaceae | |
Stevia purpurea | Stevia | Asteraceae | |
Solanum sisymbriifolium | Solanum | Solanaceae | |
Fritillaria ussuriensis | Fritillaria | Liliaceae | |
Quercus robur | Quercus | Fagaceae | |
Gerbera piloselloides | Gerbera | Asteraceae | |
Salvia miltiorrhiza | Salvia | Lamiaceae | |
Bidens cernua | Bidens | Asteraceae | |
Artemisia arbuscula | Artemisia | Asteraceae | |
Pentzia calva | Pentzia | Asteraceae | |
Mammillaria magnimamma | Mammillaria | Cactaceae | |
Tetracera asiatica | Tetracera | Dilleniaceae | |
Licaria armeniaca | Licaria | Lauraceae | |
Croton caudatus | Croton | Euphorbiaceae | |
Phedimus kamtschaticus | Phedimus | Crassulaceae | |
Artemisia bigelovii | Artemisia | Asteraceae | |
Betula davurica | Betula | Betulaceae | |
Humulus scandens | Humulus | Cannabaceae | |
Clematis chinensis | Clematis | Ranunculaceae | |
Typha domingensis | Typha | Typhaceae | |
Picea mariana | Picea | Pinaceae | |
Oxera splendida | Oxera | Lamiaceae | |
Viguiera oblongifolia | Viguiera | Asteraceae | |
Salacia chinensis | Salacia | Celastraceae | |
Ixora chinensis | Ixora | Rubiaceae | |
Cyathocline purpurea | Cyathocline | Asteraceae | |
Vitex agnus-castus | Vitex | Lamiaceae | |
Smilax myosotiflora | Smilax | Smilacaceae | |
Eria tomentosa | Eria | Orchidaceae | |
Tilia vulgaris | Tilia | Malvaceae | |
Kadsura heteroclita | Kadsura | Schisandraceae | |
Grindelia perennis | Grindelia | Asteraceae | |
Symphonia globulifera | Symphonia | Clusiaceae | |
Viburnum urceolatum | Viburnum | Adoxaceae | |
Meconopsis horridula | Meconopsis | Papaveraceae | |
Mallotus repandus | Mallotus | Euphorbiaceae | |
Euryops algoensis | Euryops | Asteraceae | |
Aconitum fauriei | Aconitum | Ranunculaceae | |
Artemisia schimperi | Artemisia | Asteraceae | |
Rohdea wattii | Rohdea | Asparagaceae | |
Citrus reshni | Citrus | Rutaceae | |
Glycosmis ovoidea | Glycosmis | Rutaceae | |
Ambrosia grayi | Ambrosia | Asteraceae | |
Gardenia jasminoides | Gardenia | Rubiaceae | |
Anisomeles indica | Anisomeles | Lamiaceae | |
Litsea pungens | Litsea | Lauraceae | |
Clematis manshurica | Clematis | Ranunculaceae | |
Dacrycarpus imbricatus | Dacrycarpus | Podocarpaceae | |
Merremia umbellata | Merremia | Convolvulaceae | |
Argyranthemum frutescens | Argyranthemum | Asteraceae | |
Cichorium intybus | Cichorium | Asteraceae | |
Isocoma pluriflora | Isocoma | Asteraceae |
Ingredient ID: NPC300059
Formula: C2H7NO3S
Common Name | Taurine |
IUPAC Name | 2-azaniumylethanesulfonate |
Canonical SMILES | NCCS(=O)(=O)O |
Standard InCHI | InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) |
Standard InCHIKey | XOAAWQZATWQOTB-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 4068592;1123 ChEMBL ID: CHEMBL239243 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD155946] Database: NPASS [NPC300059] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Shuteria involucrata var. vestita | Shuteria | Fabaceae | |
Euphorbia kamerunica | Euphorbia | Euphorbiaceae | |
Eria foetida | Eria | Orchidaceae | |
Agave aurea | Agave | Asparagaceae | |
Encephalartos altensteinii | Encephalartos | Zamiaceae | |
Cupressus lawsoniana | Cupressus | Cupressaceae | |
Crinum erubescens | Crinum | Amaryllidaceae | |
Pentzia incana | Pentzia | Asteraceae | |
Kobresia nepalensis | Kobresia | Cyperaceae | |
Pronephrium triphyllum | Pronephrium | Thelypteridaceae | |
Lycium chinense | Lycium | Solanaceae | |
Excoecaria oppositifolia | Excoecaria | Euphorbiaceae | |
Grindelia acutifolia | Grindelia | Asteraceae | |
Prangos pabularia | Prangos | Apiaceae | |
Trifolium subterraneum | Trifolium | Fabaceae | |
Euphorbia marginata | Euphorbia | Euphorbiaceae | |
Emilia sonchifolia | Emilia | Asteraceae | |
Crataegus davisii | Crataegus | Rosaceae | |
Gardenia collinsae | Gardenia | Rubiaceae | |
Callistemon viminalis | Callistemon | Myrtaceae | |
Pausinystalia mayumbensis | Pausinystalia | Rubiaceae | |
Ajuga spectabilis | Ajuga | Lamiaceae | |
Cissus pallidiflorus | Cissus | Vitaceae | |
Ursinia abrotanifolia | Ursinia | Asteraceae | |
Selliguea feei | Selliguea | Polypodiaceae | |
Jungermannia hyalina | Jungermannia | Jungermanniaceae | |
Melampodium heterophyllum | Melampodium | Asteraceae | |
Simaba multiflora | Simaba | Simaroubaceae | |
Baphia nitida | Baphia | Fabaceae | |
Litsea pulchella | Litsea | Lauraceae | |
Astragalus tragacantha | Astragalus | Fabaceae | |
Teucrium oxylepis | Teucrium | Lamiaceae | |
Ligularia muliensis | Ligularia | Asteraceae | |
Alstroemeria revoluta | Alstroemeria | Alstroemeriaceae | |
Marrubium alysson | Marrubium | Lamiaceae | |
Achillea macrophylla | Achillea | Asteraceae | |
Nuphar lutea | Nuphar | Nymphaeaceae | |
Eupatorium havanense | Eupatorium | Asteraceae | |
Lycium barbarum | Lycium | Solanaceae | |
Litsea aciculata | Litsea | Lauraceae | |
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae | |
Gymnosporia senegalensis | Gymnosporia | Celastraceae | |
Stevia chamaedrys | Stevia | Asteraceae | |
Trillium camschatcense | Trillium | Melanthiaceae |
Ingredient ID: NPC281873
Formula: C11H11Br2N5O
Common Name | n.a. |
IUPAC Name | N-[5-[(E)-3-aminoprop-1-enyl]-1H-imidazol-2-yl]-4,5-dibromo-1H-pyrrole-2-carboxamide |
Canonical SMILES | NC/C=C/c1cnc([nH]1)NC(=O)c1[nH]c(c(c1)Br)Br |
Standard InCHI | InChI=1S/C11H11Br2N5O/c12-7-4-8(17-9(7)13)10(19)18-11-15-5-6(16-11)2-1-3-14/h1-2,4-5,17H,3,14H2,(H2,15,16,18,19)/b2-1+ |
Standard InCHIKey | JFUKCDVDKWZMFY-OWOJBTEDSA-N |
Ingredient External Links |
PubChem CID: 23425087 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD164469] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC278813
Formula: C29H26Br6N4O11
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | O[C@@H](COc1c(Br)cc(cc1Br)[C@H](CN=C([C@H]1C=NO[C@@]21C=C(Br)C(=O)[C@@H]([C@@H]2O)Br)O)O)CNC(=O)C1=NO[C@@]2(C1)C=C(Br)C(=O)[C@@H]([C@@H]2O)Br |
Standard InCHI | InChI=1S/C29H26Br6N4O11/c30-13-1-10(18(41)8-37-26(46)12-7-38-50-29(12)4-16(33)22(43)20(35)25(29)45)2-14(31)23(13)48-9-11(40)6-36-27(47)17-5-28(49-39-17)3-15(32)21(42)19(34)24(28)44/h1-4,7,11-12,18-20,24-25,40-41,44-45H,5-6,8-9H2,(H,36,47)(H,37,46)/t11-,12-,18+,19+,20+,24+,25+,28-,29-/m1/s1 |
Standard InCHIKey | JGGJQFOWZXXRKT-SZHIHXENSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD193927] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC27765
Formula: C30H50O
Common Name | Alpha-Amyrin |
IUPAC Name | (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol |
Canonical SMILES | C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C |
Standard InCHI | InChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-25,31H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1 |
Standard InCHIKey | FSLPMRQHCOLESF-SFMCKYFRSA-N |
Ingredient External Links |
PubChem CID: 73170 ZINC ID: ZINC000004097713 ChEMBL ID: CHEMBL455357 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC27765] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Nerium oleander | Nerium | Apocynaceae | |
Artabotrys uncinatus | Artabotrys | Annonaceae | |
Scrophularia leucoclada | Scrophularia | Scrophulariaceae | |
Ajuga reptans | Ajuga | Lamiaceae | |
Artemisia montana | Artemisia | Asteraceae | |
Dryopteris crenata | Dryopteris | Dryopteridaceae | |
Syncarpia hillii | Syncarpia | Myrtaceae | |
Euphorbia sancta | Euphorbia | Euphorbiaceae | |
Silene fortunei | Silene | Caryophyllaceae | |
Arnebia decumbens | Arnebia | Boraginaceae | |
Neolitsea dealbata | Neolitsea | Lauraceae | |
Isoplexis chalcantha | Isoplexis | Plantaginaceae | |
Sideritis lotsyi | Sideritis | Lamiaceae | |
Barbacenia flava | Barbacenia | Velloziaceae | |
Senecio madagascariensis | Senecio | Asteraceae | |
Nigella aristata | Nigella | Ranunculaceae | |
Teucrium leucocladum | Teucrium | Lamiaceae | |
Crotalaria mitchellii | Crotalaria | Fabaceae | |
Asphodeline tenuior | Asphodeline | Asphodelaceae | |
Lemaireocereus griseus | Lemaireocereus | Cactaceae | |
Eucalyptus froggattii | Eucalyptus | Myrtaceae | |
Glycyrrhiza triphylla | Glycyrrhiza | Fabaceae | |
Peucedanum longifolium | Peucedanum | Apiaceae | |
Amsinckia menziesii | Amsinckia | Boraginaceae | |
Cornus officinalis | Cornus | Cornaceae | |
Swertia corymbosa | Swertia | Gentianaceae | |
Diospyros eriantha | Diospyros | Ebenaceae | |
Periploca sepium | Periploca | Apocynaceae | |
Alkanna cappadocica | Alkanna | Boraginaceae | |
Gymnadenia conopsea | Gymnadenia | Orchidaceae | |
Polypodium vulgare | Polypodium | Polypodiaceae | |
Artemisia dentata | Artemisia | Asteraceae | |
Sindora wallichii | Sindora | Fabaceae | |
Veronica pectinata | Veronica | Plantaginaceae | |
Balanophora harlandii | Balanophora | Balanophoraceae | |
Sauropus quadrangularis | Sauropus | Phyllanthaceae | |
Iris hoogiana | Iris | Iridaceae | |
Pistacia mexicana | Pistacia | Anacardiaceae | |
Salvia hispanica | Salvia | Lamiaceae | |
Glycosmis puberula | Glycosmis | Rutaceae | |
Plantago lanceolata | Plantago | Plantaginaceae | |
Scorzonera pseudodivaricata | Scorzonera | Asteraceae | |
Otanthus maritimus | Otanthus | Asteraceae | |
Rapanea lancifolia | Rapanea | Primulaceae | |
Ononis vaginalis | Ononis | Fabaceae | |
Metanarthecium luteoviride | Metanarthecium | Nartheciaceae | |
Dolichandrone crispa | Dolichandrone | Bignoniaceae | |
Narcissus concolor | Narcissus | Amaryllidaceae | |
Humulus lupulus | Humulus | Cannabaceae | |
Berkheya rhapontica | Berkheya | Asteraceae | |
Melaleuca uncinata | Melaleuca | Myrtaceae | |
Bothriocline longipes | Bothriocline | Asteraceae | |
Lespedeza davidii | Lespedeza | Fabaceae | |
Hakea saligna | Hakea | Proteaceae | |
Clerodendrum cyrtophyllum | Clerodendrum | Lamiaceae | |
Mollinedia costaricensis | Mollinedia | Monimiaceae | |
Acanthothamnus aphyllus | Acanthothamnus | Celastraceae | |
Echinops niveus | Echinops | Asteraceae | |
Cephalotaxus hainanensis | Cephalotaxus | Taxaceae | |
Alnus japonica | Alnus | Betulaceae | |
Tripodanthus acutifolius | Tripodanthus | Loranthaceae | |
Swertia punctata | Swertia | Gentianaceae | |
Maytenus buxifolia | Maytenus | Celastraceae | |
Niphogeton ternata | Niphogeton | Apiaceae | |
Croton rhamnifolius | Croton | Euphorbiaceae | |
Polemonium caeruleum | Polemonium | Polemoniaceae | |
Corydalis claviculata | Corydalis | Papaveraceae | |
Avrainvillea nigricans | Avrainvillea | Udoteaceae | |
Acacia pruinosa | Acacia | Fabaceae | |
Centaurea horrida | Centaurea | Asteraceae | |
Rhododendron ferrugineum | Rhododendron | Ericaceae | |
Spilanthes ocymifolia | Spilanthes | Asteraceae | |
Cycas beddomei | Cycas | Cycadaceae | |
Uvaria kirkii | Uvaria | Annonaceae | |
Vernonia echitifolia | Vernonia | Asteraceae | |
Atalantia racemosa | Atalantia | Rutaceae | |
Papaver commutatum | Papaver | Papaveraceae | |
Drypetes roxburghii | Drypetes | Putranjivaceae | |
Alstonia scholaris | Alstonia | Apocynaceae | |
Eucalyptus exserta | Eucalyptus | Myrtaceae | |
Podolepis longipedata | Podolepis | Asteraceae | |
Buddleja variabilis | Buddleja | Scrophulariaceae | |
Amaranthus hybr | Amaranthus | Amaranthaceae | |
Inga paterno | Inga | Fabaceae | |
Senecio scandens | Senecio | Asteraceae | |
Pluchea lanceolata | Pluchea | Asteraceae | |
Arnica foliosa | Arnica | Asteraceae | |
Achillea magnifica | Achillea | Asteraceae | |
Vallaris solanacea | Vallaris | Apocynaceae | |
Pinus monophylla | Pinus | Pinaceae | |
Crinum stuhlmannii | Crinum | Amaryllidaceae | |
Cirsium japonicum | Cirsium | Asteraceae | |
Scutellaria seleriana | Scutellaria | Lamiaceae | |
Jaborosa caulescens | Jaborosa | Solanaceae | |
Cynanchum formosanum | Cynanchum | Apocynaceae | |
Campsis grandiflora | Campsis | Bignoniaceae | |
Mentha pulegiformis | Mentha | Lamiaceae | |
Hypolepis punctata | Hypolepis | Dennstaedtiaceae | |
Salvia nubicola | Salvia | Lamiaceae | |
Grindelia nana | Grindelia | Asteraceae | |
Haloxylon salicornicum | Haloxylon | Chenopodiaceae | |
Verbena triphylla | Verbena | Verbenaceae | |
Leucanthemum maximum | Leucanthemum | Asteraceae | |
Syzygium samarangense | Syzygium | Myrtaceae | |
Vitex trifolia | Vitex | Lamiaceae | |
Iodes cirrhosa | Iodes | Icacinaceae | |
Calea megacephala | Calea | Asteraceae | |
Astilbe myriantha | Astilbe | Saxifragaceae | |
Strychnos ledermannii | Strychnos | Loganiaceae | |
Abies nobilis | Abies | Pinaceae | |
Buddleja cordata | Buddleja | Scrophulariaceae | |
Persea indica | Persea | Lauraceae | |
Persicaria filiformis | Persicaria | Polygonaceae | |
Corydalis cornuta | Corydalis | Papaveraceae | |
Stypandra imbricata | Stypandra | Asphodelaceae | |
Disepalum plagioneurum | Disepalum | Annonaceae | |
Durio zibethinus | Durio | Malvaceae | |
Piper aequale | Piper | Piperaceae | |
Alkanna hirsutissima | Alkanna | Boraginaceae | |
Pinus picea | Pinus | Pinaceae | |
Picris radicata | Picris | Asteraceae | |
Acrocomia sclerocarpa | Acrocomia | Arecaceae | |
Eremophila serrulata | Eremophila | Scrophulariaceae | |
Rodgersia podophylla | Rodgersia | Saxifragaceae | |
Delphinium campylocentrum | Delphinium | Ranunculaceae | |
Cordyline indivisa | Cordyline | Asparagaceae | |
Primula hirsuta | Primula | Primulaceae | |
Jasminum grandiflorum | Jasminum | Oleaceae | |
Viscum coloratum | Viscum | Viscaceae | |
Cytisus scoparius | Cytisus | Fabaceae | |
Aconitum brevicalcaratum | Aconitum | Ranunculaceae | |
Millettia erythrocalyx | Millettia | Fabaceae | |
Girgensohnia diptera | Girgensohnia | Chenopodiaceae | |
Juniperus rigida var. conferta | Juniperus | Cupressaceae | |
Euphorbia biglandulosa | Euphorbia | Euphorbiaceae | |
Crinum kirkii | Crinum | Amaryllidaceae | |
Hoffmannia strigillosa | Hoffmannia | Rubiaceae | |
Sideritis argosphacelus | Sideritis | Lamiaceae | |
Rosmarinus officinalis | Salvia | Lamiaceae | |
Cordylanthus kingii | Cordylanthus | Orobanchaceae | |
Isodon japonicus | Isodon | Lamiaceae | |
Cladrastis kentukea | Cladrastis | Fabaceae | |
Micromelum minutum | Micromelum | Rutaceae | |
Annona impressivenia | Annona | Annonaceae | |
Hypericum triquetrifolium | Hypericum | Hypericaceae | |
Artemisia vestita | Artemisia | Asteraceae | |
Metzgeria pubescens | Metzgeria | Metzgeriaceae | |
Artemisia argyi | Artemisia | Asteraceae | |
Aegilops geniculata | Aegilops | Poaceae | |
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 | |
Sophora angustifolia | Sophora | Fabaceae | |
Kaempferia marginata | Kaempferia | Zingiberaceae | |
Lupinus cosentinii | Lupinus | Fabaceae | |
Hippophae fructus | Hippophae | Elaeagnaceae | |
Rhododendron formosanum | Rhododendron | Ericaceae | |
Myrica rubra | Myrica | Myricaceae | |
Aralia continentalis | Aralia | Araliaceae | |
Ammodendron conollyi | Ammodendron | Fabaceae | |
Citrus limon | Citrus | Rutaceae | |
Echinops kebericho | Echinops | Asteraceae | |
Hymenoxys scaposa | Hymenoxys | Asteraceae | |
Fridericia chica | Fridericia | Bignoniaceae | |
Cirsium dipsacolepis | Cirsium | Asteraceae | |
Mesembryanthemum anatomicum | Mesembryanthemum | Aizoaceae | |
Amomum neoaurantiacum | Amomum | Zingiberaceae | |
Elaeagnus angustifolia | Elaeagnus | Elaeagnaceae | |
Smallanthus glabratus | Smallanthus | Asteraceae | |
Malva sylvestris | Malva | Malvaceae | |
Ferula gummosa | Ferula | Apiaceae | |
Gentiana lutea | Gentiana | Gentianaceae | |
Hedysarum multijugum | Hedysarum | Fabaceae | |
Doodia picta | Doodia | Blechnaceae | |
Viguiera annua | Viguiera | Asteraceae | |
Canarium album | Canarium | Burseraceae | |
Dracaena ombet | Dracaena | Asparagaceae | |
Adiantum caudatum | Adiantum | Pteridaceae | |
Viburnum davidii | Viburnum | Adoxaceae | |
Alnus firma | Alnus | Betulaceae | |
Agathosma scaberula | Agathosma | Rutaceae | |
Cecropia pachystachya | Cecropia | Urticaceae | |
Picea vulgaris | Picea | Pinaceae | |
Campsis flos | Campsis | Bignoniaceae | |
Pseudoxandra sclerocarpa | Pseudoxandra | Annonaceae | |
Phegopteris subaurita | Phegopteris | Thelypteridaceae | |
Crambe tatarica | Crambe | Brassicaceae | |
Phegopteris bukoensis | Phegopteris | Thelypteridaceae | |
Coprosma australis | Coprosma | Rubiaceae | |
Eria subsessilis | Eria | Orchidaceae | |
Cocculus diversifolius | Cocculus | Menispermaceae | |
Phlomis regelii | Phlomis | Lamiaceae | |
Myrica multiflora | Myrica | Myricaceae | |
Trifolium apertum | Trifolium | Fabaceae | |
Solanum racemigerum | Solanum | Solanaceae | |
Myrica arborea | Myrica | Myricaceae | |
Smilax glabra | Smilax | Smilacaceae | |
Teucrium pestalozzae | Teucrium | Lamiaceae | |
Ixora chinensis | Ixora | Rubiaceae | |
Smilax myosotiflora | Smilax | Smilacaceae | |
Scapania nemorea | Scapania | Scapaniaceae | |
Eria tomentosa | Eria | Orchidaceae | |
Bryum rutilans | Bryum | Bryaceae | |
Phlomoides hamosa | Phlomoides | Lamiaceae | |
Stylotrichium rotundifolium | Stylotrichium | Asteraceae | |
Iryanthera polyneura | Iryanthera | Myristicaceae | |
Knightia deplanchei | Knightia | Proteaceae | |
Koompassia malaccensis | Koompassia | Fabaceae | |
Ptilidium ciliare | Ptilidium | Ptilidiaceae | |
Pteris semipinnata | Pteris | Pteridaceae | |
Gentiana macrophylla pall | Gentiana | Gentianaceae | |
Fritillaria ningguoensis | Fritillaria | Liliaceae | |
Polygala aureocauda | Polygala | Polygalaceae | |
Pterocaulon polystachyum | Pterocaulon | Asteraceae | |
Vincetoxicum hirundinaria | Vincetoxicum | Apocynaceae | |
Cichorium intybus | Cichorium | Asteraceae |
Ingredient ID: NPC275124
Formula: C17H14O8
Common Name | n.a. |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one |
Canonical SMILES | COc1c(O)c(OC)c2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C17H14O8/c1-23-16-13(21)12-10(20)6-11(7-3-4-8(18)9(19)5-7)25-15(12)17(24-2)14(16)22/h3-6,18-19,21-22H,1-2H3 |
Standard InCHIKey | GLMWHQIFJIURES-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 5321859 ZINC ID: ZINC000014437288 |
Plant-Ingredient Association Reference |
Database: TCMID [21079] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Scutellaria viscidula | Scutellaria | Lamiaceae | |
Artemisia vestita | Artemisia | Asteraceae | |
Scutellaria baicalensis | Scutellaria | Lamiaceae |
Ingredient ID: NPC274606
Formula: C13H16Br2N6O4S
Common Name | n.a. |
IUPAC Name | 2-[[(5Z)-2-amino-5-[3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]propylidene]imidazol-4-yl]amino]ethanesulfonic acid |
Canonical SMILES | N=C1N/C(=CCCNC(=O)c2[nH]c(c(c2)Br)Br)/C(=NCCS(=O)(=O)O)N1 |
Standard InCHI | InChI=1S/C13H16Br2N6O4S/c14-7-6-9(19-10(7)15)12(22)18-3-1-2-8-11(21-13(16)20-8)17-4-5-26(23,24)25/h2,6,19H,1,3-5H2,(H,18,22)(H,23,24,25)(H3,16,17,20,21)/b8-2- |
Standard InCHIKey | RPPSGEYLUBPWMM-WAPJZHGLSA-N |
Ingredient External Links |
PubChem CID: 10436427 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD158759] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC268906
Formula: C15H16O3
Common Name | n.a. |
IUPAC Name | (8aS)-5,8a-dimethyl-3-methylidene-3a,4,9,9a-tetrahydrobenzo[f][1]benzofuran-2,6-dione |
Canonical SMILES | C=C1C(=O)OC2C1CC1=C(C)C(=O)C=C[C@@]1(C2)C |
Standard InCHI | InChI=1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10,13H,1,6-7H2,2-3H3/t10?,13?,15-/m1/s1 |
Standard InCHIKey | ONPJVBQNWRHOKG-JHANDDDOSA-N |
Ingredient External Links |
PubChem CID: 10263856 |
Plant-Ingredient Association Reference |
Database: TCMID [22907] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Artemisia vestita | Artemisia | Asteraceae | |
Artemisia argyi | Artemisia | Asteraceae |
Ingredient ID: NPC266020
Formula: C30H50O
Common Name | n.a. |
IUPAC Name | 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=C1CCC2C(C1C)(C)CCC1C2(C)CCC2(C1(C)CCC1(C2CC(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 |
Standard InCHIKey | OFMXGFHWLZPCFL-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 244297 |
Plant-Ingredient Association Reference |
Database: TCMID [7950] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Quercus mongolica | Quercus | Fagaceae | |
Mangifera persiciformis | Mangifera | Anacardiaceae | |
Codonopsis pilosula | Codonopsis | Campanulaceae | |
Poa sphondylodes | Poa | Poaceae | |
Punica granatum | Punica | Lythraceae | |
Casearia membranacea | Casearia | Salicaceae | |
Euphorbia hirta | Euphorbia | Euphorbiaceae | |
Artemisia annua | Artemisia | Asteraceae | |
Artemisia vestita | Artemisia | Asteraceae | |
Calophyllum inophyllum | Calophyllum | Calophyllaceae | |
Pygeum topengii | Pygeum | Rosaceae | |
Aster tataricus | Aster | Asteraceae | |
Mangifera indica | Mangifera | Anacardiaceae | |
Agastache rugosus | Agastache | Lamiaceae | |
Phellodendron japonicum | Phellodendron | Rutaceae | |
Commelina communis | Commelina | Commelinaceae |
Ingredient ID: NPC257347
Formula: C29H50O
Common Name | n.a. |
IUPAC Name | (3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
Canonical SMILES | CC[C@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@@H](C2)O)C |
Standard InCHI | InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21+,22+,23+,25-,26+,27+,28+,29-/m1/s1 |
Standard InCHIKey | YSKVBPGQYRAUQO-XCFYOIDPSA-N |
Ingredient External Links |
PubChem CID: 5283639 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD7293] Database: NPASS [NPC257347] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Melia azedarach | Melia | Meliaceae | |
Phellodendron chinense | Phellodendron | Rutaceae | |
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC211494
Formula: C31H30Br6N4O11
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | COC1=C(Br)[C@@H]([C@]2(C=C1Br)ON=C(C2)C(=O)NC[C@@H](COc1c(Br)cc(cc1Br)[C@H](CNC(=O)C1=NO[C@@]2(C1)C=C(Br)C(=C([C@@H]2O)Br)OC)O)O)O |
Standard InCHI | InChI=1S/C31H30Br6N4O11/c1-48-24-16(34)5-30(26(44)21(24)36)7-18(40-51-30)28(46)38-9-13(42)11-50-23-14(32)3-12(4-15(23)33)20(43)10-39-29(47)19-8-31(52-41-19)6-17(35)25(49-2)22(37)27(31)45/h3-6,13,20,26-27,42-45H,7-11H2,1-2H3,(H,38,46)(H,39,47)/t13-,20-,26-,27-,30+,31+/m0/s1 |
Standard InCHIKey | TURTULDFIIAPTC-SVWNRAJFSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD2053] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC208180
Formula: C11H11Br2N5O
Common Name | n.a. |
IUPAC Name | (4S)-4-[(2-amino-1H-imidazol-5-yl)methyl]-6,7-dibromo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one |
Canonical SMILES | O=C1NC[C@@H](n2c1cc(c2Br)Br)Cc1c[nH]c(=N)[nH]1 |
Standard InCHI | InChI=1S/C11H11Br2N5O/c12-7-2-8-10(19)15-4-6(18(8)9(7)13)1-5-3-16-11(14)17-5/h2-3,6H,1,4H2,(H,15,19)(H3,14,16,17)/t6-/m0/s1 |
Standard InCHIKey | TWKBAJGOPXDKMJ-LURJTMIESA-N |
Ingredient External Links |
PubChem CID: 10739060 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD80310] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC208061
Formula: C29H26Br6N4O11
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | O[C@@H](COc1c(Br)cc(cc1Br)[C@H](CNC(=O)C1=NO[C@@]2(C1)C=C(Br)C(=O)[C@@H]([C@@H]2O)Br)O)CNC(=O)C1=NO[C@@]2(C1)C=C(Br)C(=O)[C@@H]([C@@H]2O)Br |
Standard InCHI | InChI=1S/C29H26Br6N4O11/c30-12-1-10(18(41)8-37-27(47)17-6-29(50-39-17)4-15(33)22(43)20(35)25(29)45)2-13(31)23(12)48-9-11(40)7-36-26(46)16-5-28(49-38-16)3-14(32)21(42)19(34)24(28)44/h1-4,11,18-20,24-25,40-41,44-45H,5-9H2,(H,36,46)(H,37,47)/t11-,18+,19+,20+,24+,25+,28-,29-/m1/s1 |
Standard InCHIKey | CFXBKEVRDPAWHM-STSTUSPDSA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD73993] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC206148
Formula: C11H11Br2N5O
Common Name | Oroidin |
IUPAC Name | N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide |
Canonical SMILES | N=c1[nH]cc([nH]1)/C=C/CNC(=O)c1[nH]c(c(c1)Br)Br |
Standard InCHI | InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)/b2-1+ |
Standard InCHIKey | QKJAXHBFQSBDAR-OWOJBTEDSA-N |
Ingredient External Links |
PubChem CID: 6312649 ChEMBL ID: CHEMBL397591 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD15166] Database: NPASS [NPC206148] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae | |
Vernonia arctioides | Vernonia | Asteraceae | |
Echinocystis fabacea | Echinocystis | Cucurbitaceae |
Ingredient ID: NPC201373
Formula: C28H48O
Common Name | n.a. |
IUPAC Name | (3S,4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
Canonical SMILES | CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H]([C@H]2C)O)C)C |
Standard InCHI | InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24,26,29H,7-17H2,1-6H3/t19-,20+,22-,23+,24+,26+,27-,28+/m1/s1 |
Standard InCHIKey | SCEZIHJVTBQOLS-YIJYGBTNSA-N |
Ingredient External Links |
PubChem CID: 6452640 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD51053] Database: NPASS [NPC201373] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Polypodium vulgare | Polypodium | Polypodiaceae | |
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC188484
Formula: C9H13NO
Common Name | n.a. |
IUPAC Name | 2,4,6,6-tetramethylpyridin-3-one |
Canonical SMILES | CC1=CC(C)(C)N=C(C1=O)C |
Standard InCHI | InChI=1S/C9H13NO/c1-6-5-9(3,4)10-7(2)8(6)11/h5H,1-4H3 |
Standard InCHIKey | TWOMTDIVYXTJET-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 21775038 ZINC ID: ZINC000014764805 |
Plant-Ingredient Association Reference |
Database: UNPD [] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC177976
Formula: C11H10O5
Common Name | n.a. |
IUPAC Name | 7-hydroxy-6,8-dimethoxychromen-4-one |
Canonical SMILES | COc1c(O)c(OC)cc2c1occc2=O |
Standard InCHI | InChI=1S/C11H10O5/c1-14-8-5-6-7(12)3-4-16-10(6)11(15-2)9(8)13/h3-5,13H,1-2H3 |
Standard InCHIKey | ANCHXLMTFNOVDK-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 5318198 ZINC ID: ZINC000033831708 |
Plant-Ingredient Association Reference |
Database: TCMID [10016] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Gelsemium elegans | Gelsemium | Gelsemiaceae | |
Artemisia annua | Artemisia | Asteraceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC164706
Formula: C10H10O4
Common Name | Isoferulic Acid |
IUPAC Name | (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid |
Canonical SMILES | COc1ccc(cc1O)/C=C/C(=O)O |
Standard InCHI | InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
Standard InCHIKey | QURCVMIEKCOAJU-HWKANZROSA-N |
Ingredient External Links |
PubChem CID: 736186 ChEMBL ID: CHEMBL233295 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC164706] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Aloe vera | Aloe | Xanthorrhoeaceae | |
Lobelia chinensis | Lobelia | Campanulaceae | |
Aloe ferox | Aloe | Asphodelaceae | |
Actaea dahurica | Actaea | Ranunculaceae | |
Actaea cimicifuga | Actaea | Ranunculaceae | |
Beesia calthifolia | Beesia | Ranunculaceae | |
Valeriana officinalis | Valeriana | Caprifoliaceae | |
Artemisia anomala | Artemisia | Asteraceae | |
Imperata cylindrica | Imperata | Poaceae | |
Marrubium cylleneum | Marrubium | Lamiaceae | |
Hedysarum multijugum maxim | Hedysarum | Fabaceae | |
Salvia przewalskii | Salvia | Lamiaceae | |
Vaccinium vitis-idaea | Vaccinium | Ericaceae | |
Actaea simplex | Actaea | Ranunculaceae | |
Artemisia vestita | Artemisia | Asteraceae | |
Aloe spicata | Aloe | Asphodelaceae | |
Aloe africana | Aloe | Xanthorrhoeaceae | |
Cimicifuga dahurica | Actaea | Ranunculaceae | |
Tussilago farfara | Tussilago | Asteraceae | |
Salvia miltiorrhiza | Salvia | Lamiaceae | |
Marrubium velutinum | Marrubium | Lamiaceae | |
Catalpa ovata | Catalpa | Bignoniaceae |
Ingredient ID: NPC162313
Formula: C16H12O7
Common Name | 2-(3,4-Dihydroxyphenyl)-5,6-Dihydroxy-7-Methoxychromen-4-One |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxychromen-4-one |
Canonical SMILES | COc1cc2oc(cc(=O)c2c(c1O)O)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3 |
Standard InCHIKey | QWUHUBDKQQPMQG-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 31161 ChEMBL ID: CHEMBL476314 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC162313] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Artemisia capillaris | Artemisia | Asteraceae | |
Isodon japonica var. glaucocalyx | Isodon | Lamiaceae | |
Physalis angulata | Physalis | Solanaceae | |
Isodon amethystoides | Isodon | Lamiaceae | |
Rabdosia excisa | Isodon | Lamiaceae | |
Sesamum indicum | Sesamum | Pedaliaceae | |
Isodon serra | Isodon | Lamiaceae | |
Artemisia vestita | Artemisia | Asteraceae | |
Erigeron breviscapus | Erigeron | Asteraceae |
Ingredient ID: NPC157436
Formula: C15H20O3
Common Name | n.a. |
IUPAC Name | (3S,5aR,9bS)-3,5a,9-trimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2,6-dione |
Canonical SMILES | C[C@@H]1C(=O)O[C@H]2C1CC[C@@]1(C2=C(C)CCC1=O)C |
Standard InCHI | InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h9-10,13H,4-7H2,1-3H3/t9-,10?,13-,15-/m0/s1 |
Standard InCHIKey | RSDQBPGKMDFRHH-RWGQQCCOSA-N |
Ingredient External Links |
PubChem CID: 9816345 |
Plant-Ingredient Association Reference |
Database: TCMID [20715] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Artemisia taurica | Artemisia | Asteraceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC150592
Formula: C5H4Br2N2O
Common Name | 4,5-Dibromopyrrole-2-Carbamide |
IUPAC Name | 4,5-dibromo-1H-pyrrole-2-carboxamide |
Canonical SMILES | Brc1[nH]c(cc1Br)C(=O)N |
Standard InCHI | InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10) |
Standard InCHIKey | VTWHNVAKXBNGFV-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 14056555 ChEMBL ID: CHEMBL356164 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD119416] Database: NPASS [NPC150592] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae | |
Vernonia arctioides | Vernonia | Asteraceae | |
Echinocystis fabacea | Echinocystis | Cucurbitaceae |
Ingredient ID: NPC142753
Formula: C35H60O6
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] |
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: NPC142688
Formula: C6H5Br2NO2
Common Name | n.a. |
IUPAC Name | methyl 4,5-dibromo-1H-pyrrole-2-carboxylate |
Canonical SMILES | COC(=O)c1[nH]c(c(c1)Br)Br |
Standard InCHI | InChI=1S/C6H5Br2NO2/c1-11-6(10)4-2-3(7)5(8)9-4/h2,9H,1H3 |
Standard InCHIKey | ISQWCRSAYRXYRS-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 324097 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD124897] Database: NPASS [NPC142688] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC133178
Formula: C9H17NO
Common Name | n.a. |
IUPAC Name | 2,2,6,6-tetramethylpiperidin-4-one |
Canonical SMILES | O=C1CC(C)(C)NC(C1)(C)C |
Standard InCHI | InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3 |
Standard InCHIKey | JWUXJYZVKZKLTJ-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 13220 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD15789] Database: NPASS [NPC133178] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae | |
Catharanthus roseus | Catharanthus | Apocynaceae |
Ingredient ID: NPC127113
Formula: C29H26Br6N4O11
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | O[C@@H](COc1c(Br)cc(cc1Br)[C@H](CN=C([C@H]1C=NO[C@@]21C=C(Br)C(=O)[C@H]([C@@H]2O)Br)O)O)CNC(=O)C1=NO[C@@]2(C1)C=C(Br)C(=O)[C@H]([C@@H]2O)Br |
Standard InCHI | InChI=1S/C29H26Br6N4O11/c30-13-1-10(18(41)8-37-26(46)12-7-38-50-29(12)4-16(33)22(43)20(35)25(29)45)2-14(31)23(13)48-9-11(40)6-36-27(47)17-5-28(49-39-17)3-15(32)21(42)19(34)24(28)44/h1-4,7,11-12,18-20,24-25,40-41,44-45H,5-6,8-9H2,(H,36,47)(H,37,46)/t11-,12-,18+,19-,20-,24+,25+,28-,29-/m1/s1 |
Standard InCHIKey | JGGJQFOWZXXRKT-WVTAVEGASA-N |
Ingredient External Links | |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD38424] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC119786
Formula: C5H2Br2N2
Common Name | n.a. |
IUPAC Name | 4,5-dibromo-1H-pyrrole-2-carbonitrile |
Canonical SMILES | N#Cc1[nH]c(c(c1)Br)Br |
Standard InCHI | InChI=1S/C5H2Br2N2/c6-4-1-3(2-8)9-5(4)7/h1,9H |
Standard InCHIKey | VNVJCGBSMPWVIT-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 324098 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD91667] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Monochaetum vulcanicum | Monochaetum | Melastomataceae | |
Artemisia vestita | Artemisia | Asteraceae |
Ingredient ID: NPC100887
Formula: C16H12O7
Common Name | Eupafolin |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one |
Canonical SMILES | COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(c(c1)O)O |
Standard InCHI | InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3 |
Standard InCHIKey | FHHSEFRSDKWJKJ-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 5317284 ZINC ID: ZINC000005998557 ChEMBL ID: CHEMBL172350 |
Plant-Ingredient Association Reference |
Database: NPASS [NPC100887] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Othonna sedifolia | Othonna | Asteraceae | |
Chrysanthemum sinense | Chrysanthemum | Asteraceae | |
Artemisia capillaris | Artemisia | Asteraceae | |
Styrax benzoin | Styrax | Styracaceae | |
Pterocarpus officinalis | Pterocarpus | Fabaceae | |
Vernonia lanuginosa | Vernonia | Asteraceae | |
Calycanthus floridus | Calycanthus | Calycanthaceae | |
Adenia globosa | Adenia | Passifloraceae | |
Aglaia grandis | Aglaia | Meliaceae | |
Catunaregam tomentosa | Catunaregam | Rubiaceae | |
Liriodendron tulipifera | Liriodendron | Magnoliaceae | |
Torreya fargesii var. yunnanensis | Torreya | Taxaceae | |
Satureja odora | Satureja | Lamiaceae | |
Barleria acanthoides | Barleria | Acanthaceae | |
Dacryodes normandii | Dacryodes | Burseraceae | |
Leucaena leucocephala | Leucaena | Fabaceae | |
Riccia fluitans | Riccia | Ricciaceae | |
Hypericum hirsutum | Hypericum | Hypericaceae | |
Senecio microglossus | Senecio | Asteraceae | |
Polygonatum prattii | Polygonatum | Asparagaceae | |
Hunteria zeylanica | Hunteria | Apocynaceae | |
Micromeria japonica | Micromeria | Lamiaceae | |
Peperomia villipetiola | Peperomia | Piperaceae | |
Muraltia heisteria | Muraltia | Polygalaceae | |
Marrubium globosum | Marrubium | Lamiaceae | |
Selaginella apoda | Selaginella | Selaginellaceae | |
Pouteria sapota | Pouteria | Sapotaceae | |
Uncaria sessilifructus | Uncaria | Rubiaceae | |
Santalum album | Santalum | Santalaceae | |
Inula britannica | Inula | Asteraceae | |
Pyrus pyrifolia | Pyrus | Rosaceae | |
Aloe nobilis | Aloe | Asphodelaceae | |
Hexalobus crispiflorus | Hexalobus | Annonaceae | |
Tsuga heterophylla | Tsuga | Pinaceae | |
Euodia lunu-ankenda | Euodia | Rutaceae | |
Pseudognaphalium affine | Pseudognaphalium | Asteraceae | |
Vernonia pachyclada | Vernonia | Asteraceae | |
Cordia elaeagnoides | Cordia | Cordiaceae | |
Rosmarinus officinalis | Salvia | Lamiaceae | |
Tetrapanax papyrifer | Tetrapanax | Araliaceae | |
Artemisia vestita | Artemisia | Asteraceae | |
Panax ginseng | Panax | Araliaceae | |
Zanthoxylum myriacanthum | Zanthoxylum | Rutaceae | |
Anaphalis araneosa | Anaphalis | Asteraceae | |
Bhesa nitidissima | Bhesa | Centroplacaceae | |
Mulguraea tridens | Junellia | Verbenaceae | |
Crepis pygmaea | Crepis | Asteraceae | |
Rothmannia wittii | Rothmannia | Rubiaceae | |
Ranzania japonica | Ranzania | Berberidaceae | |
Isodon leucophyllus | Isodon | Lamiaceae | |
Ptelea viscosa | Ptelea | Rutaceae | |
Asphodelus tenuifolius | Asphodelus | Asphodelaceae | |
Impatiens edgeworthii | Impatiens | Balsaminaceae | |
Artemisia kurramensis | Artemisia | Asteraceae | |
Episcia cupreata | Episcia | Gesneriaceae | |
Eupatorium lindleyanum | Eupatorium | Asteraceae | |
Inula japonica | Inula | Asteraceae | |
Jasonia candicans | Jasonia | Asteraceae | |
Siphocampylus foliosus | Siphocampylus | Campanulaceae |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC100887 | C16H12O7 | Eupafolin | 316.06 | -2.3966 | 2.45 | 0.589 | 1 | 4 | 116.45 | 7 | 3 | 23 | 0 |
NPC119786 | C5H2Br2N2 | 4,5-dibromo-1H-pyrrole-2-carbonitrile | 247.8584723 | 1.2483 | 1.57 | 1.811 | 2 | 1 | 39.58 | 0 | 1 | 9 | 0 |
NPC127113 | C29H26Br6N4O11 | 1079.66983 | 0.324 | 2.34 | 1.839 | 10 | 6 | 229.16 | 11 | 5 | 50 | 2 | |
NPC133178 | C9H17NO | 155.1310142 | 0.5736 | 2.23 | 1.003 | 2 | 1 | 29.1 | 4 | 1 | 11 | 0 | |
NPC142688 | C6H5Br2NO2 | 280.8687026 | 1.2248 | 1.57 | 2.021 | 3 | 1 | 42.09 | 5 | 1 | 11 | 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 |
NPC150592 | C5H4Br2N2O | 4,5-Dibromopyrrole-2-Carbamide | 265.87 | 0.5788 | 1.46 | 0.972 | 3 | 2 | 58.88 | 4 | 1 | 10 | 0 |
NPC157436 | C15H20O3 | (3S,5aR,9bS)-3,5a,9-trimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2,6-dione | 248.1412445 | 0.9894 | 2.78 | 1.253 | 3 | 0 | 43.37 | 0 | 3 | 18 | 0 |
NPC162313 | C16H12O7 | 2-(3,4-Dihydroxyphenyl)-5,6-Dihydroxy-7-Methoxychromen-4-One | 316.06 | -2.3966 | 2.45 | 1.018 | 1 | 4 | 116.45 | 7 | 3 | 23 | 0 |
NPC164706 | C10H10O4 | Isoferulic Acid | 194.06 | -0.3908 | 2.12 | 1.231 | 2 | 2 | 66.76 | 6 | 1 | 14 | 0 |
NPC177976 | C11H10O5 | 7-hydroxy-6,8-dimethoxychromen-4-one | 222.0528234 | -1.1417 | 2.12 | 0.256 | 1 | 1 | 64.99 | 2 | 2 | 16 | 0 |
NPC188484 | C9H13NO | 2,4,6,6-tetramethylpyridin-3-one | 151.099714 | 1.1488 | 2.23 | 1.054 | 2 | 0 | 29.43 | 0 | 1 | 11 | 0 |
NPC201373 | C28H48O | 400.3705162 | 1.7021 | 4.43 | 10.26 | 1 | 1 | 20.23 | 12 | 4 | 29 | 1 | |
NPC206148 | C11H11Br2N5O | Oroidin | 386.93 | 0.0887 | 1.79 | 2.897 | 6 | 5 | 92.8 | 7 | 2 | 19 | 0 |
NPC208061 | C29H26Br6N4O11 | 1079.66983 | 0.1031 | 2.34 | 1.499 | 10 | 6 | 225.67 | 12 | 5 | 50 | 2 | |
NPC208180 | C11H11Br2N5O | (4S)-4-[(2-amino-1H-imidazol-5-yl)methyl]-6,7-dibromo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one | 386.9330342 | 0.2597 | 1.79 | 2.516 | 6 | 4 | 81.94 | 2 | 3 | 19 | 0 |
NPC211494 | C31H30Br6N4O11 | 1107.70113 | 0.0111 | 2.56 | 3.313 | 10 | 6 | 209.99 | 14 | 5 | 52 | 2 | |
NPC257347 | C29H50O | 414.3861662 | 1.3 | 4.54 | 11.785 | 1 | 1 | 20.23 | 13 | 4 | 30 | 1 | |
NPC266020 | C30H50O | 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 | 426.3861662 | 3.2175 | 4.65 | 12.613 | 1 | 0 | 17.07 | 0 | 5 | 31 | 1 |
NPC268906 | C15H16O3 | (8aS)-5,8a-dimethyl-3-methylidene-3a,4,9,9a-tetrahydrobenzo[f][1]benzofuran-2,6-dione | 244.1099444 | 1.536 | 2.78 | 1.386 | 3 | 0 | 43.37 | 0 | 3 | 18 | 0 |
NPC274606 | C13H16Br2N6O4S | 2-[[(5Z)-2-amino-5-[3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]propylidene]imidazol-4-yl]amino]ethanesulfonic acid | 509.9320482 | -0.8539 | 1.46 | 1.588 | 10 | 6 | 167.91 | 8 | 2 | 26 | 1 |
NPC275124 | C17H14O8 | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6,8-dimethoxychromen-4-one | 346.0688674 | -2.4484 | 2.45 | 0.145 | 1 | 4 | 125.68 | 3 | 3 | 25 | 0 |
NPC27765 | C30H50O | Alpha-Amyrin | 426.39 | 2.3656 | 4.65 | 11.448 | 1 | 1 | 20.23 | 9 | 5 | 31 | 1 |
NPC278813 | C29H26Br6N4O11 | 1079.66983 | 0.324 | 2.34 | 1.839 | 10 | 6 | 229.16 | 11 | 5 | 50 | 2 | |
NPC281873 | C11H11Br2N5O | N-[5-[(E)-3-aminoprop-1-enyl]-1H-imidazol-2-yl]-4,5-dibromo-1H-pyrrole-2-carboxamide | 386.9330342 | -0.1121 | 1.79 | 1.908 | 6 | 4 | 99.59 | 5 | 2 | 19 | 0 |
NPC300059 | C2H7NO3S | Taurine | 125.01 | -1.2682 | 1.13 | -1.678 | 4 | 2 | 88.77 | 4 | 0 | 7 | 0 |
NPC307063 | C30H50O | Friedeline | 426.39 | 3.2175 | 4.65 | 12.613 | 1 | 0 | 17.07 | 8 | 5 | 31 | 1 |
NPC308020 | C29H26Br6N4O11 | 1079.66983 | 0.1031 | 2.34 | 1.499 | 10 | 6 | 225.67 | 12 | 5 | 50 | 2 | |
NPC39250 | C6H10N4 | 138.0905463 | -1.24 | 1.68 | 0.841 | 4 | 4 | 73.93 | 3 | 1 | 10 | 0 | |
NPC52110 | C5H3Br2NO2 | 266.8530525 | 0.9738 | 1.46 | 1.7 | 3 | 2 | 53.09 | 4 | 1 | 10 | 0 | |
NPC88686 | C32H52O2 | [(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate | 468.3967309 | 3.8427 | 4.76 | 12.092 | 2 | 0 | 26.3 | 2 | 5 | 34 | 1 |