60 Known Ingredients in Total
Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.
9 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC88278
Formula: C6H12O6
Ingredient ID: NPC88278
| Common Name | Inositol |
| IUPAC Name | n.a. |
| Canonical SMILES | O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- |
| Standard InCHIKey | CDAISMWEOUEBRE-GPIVLXJGSA-N |
| Ingredient External Links |
PubChem CID: NA ChEMBL ID: CHEMBL1222251 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC88278] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Glycosmis pseudoracemosa | Glycosmis | Rutaceae |
 |
| Chrozophora prostrata | Chrozophora | Euphorbiaceae |
|
| Callitris drummondii | Callitris | Cupressaceae | |
| Corydalis persica | Corydalis | Papaveraceae | |
| Centella asiatica | Centella | Apiaceae |
 |
| Inula grantioides | Inula | Asteraceae |
|
| Monodora brevipes | Monodora | Annonaceae |
|
| Cneorum pulverulentum | Cneorum | Rutaceae |
|
| Juniperus horizontalis | Juniperus | Cupressaceae |
|
| Liriodendron tulipifera | Liriodendron | Magnoliaceae |
 |
| Strychnos spinosa | Strychnos | Loganiaceae |
|
| Elsholtzia cristata | Elsholtzia | Lamiaceae |
|
| Amomum daniellii | Amomum | Zingiberaceae | |
| Plectranthus caninus | Plectranthus | Lamiaceae |
|
| Trollius chinensis | Trollius | Ranunculaceae |
|
| Serratula wolffii | Serratula | Asteraceae | |
| Lathyrus tingitanus | Lathyrus | Fabaceae |
|
| Rauvolfia salicifolia | Rauvolfia | Apocynaceae | |
| Lonicera japonica | Lonicera | Caprifoliaceae |
|
| Balanophora japonica | Balanophora | Balanophoraceae |
|
| Eriostemon tomentellus | Eriostemon | Rutaceae | |
| Swertia punctata | Swertia | Gentianaceae |
|
| Zea mays | Zea | Poaceae |
 |
| Schizolaena hystrix | Schizolaena | Sarcolaenaceae | |
| Viscum articulatum | Viscum | Viscaceae |
|
| Diospyros verrucosa | Diospyros | Ebenaceae |
|
| Krameria parvifolia | Krameria | Krameriaceae | |
| Cota tinctoria | Cota | Asteraceae |
|
| Aesculus turbinata | Aesculus | Hippocastanaceae |
|
| Argyreia speciosa | Argyreia | Convolvulaceae |
|
| Vernonia profuga | Vernonia | Asteraceae | |
| Artocarpus styracifolius | Artocarpus | Moraceae |
|
| Cardiospermum hirsutum | Cardiospermum | Sapindaceae |
|
| Swertia chinensis | Swertia | Gentianaceae |
|
| Forsythia giraldiana | Forsythia | Oleaceae | |
| Agrostis epigeios | Agrostis | Poaceae | |
| Dorstenia mannii | Dorstenia | Moraceae |
|
| Akebia quinata | Akebia | Lardizabalaceae |
|
| Athanasia crithmifolia | Athanasia | Asteraceae | |
| Capparis masaikai | Capparis | Capparaceae |
|
| Nectandra pichurim | Nectandra | Lauraceae |
|
| Perovskia abrotanoides | Salvia | Lamiaceae |
|
| Pityrogramma tartarea | Pityrogramma | Pteridaceae | |
| Clematis tangutica | Clematis | Ranunculaceae |
|
| Alnus alnobetula | Alnus | Betulaceae | |
| Alchornea cordifolia | Alchornea | Euphorbiaceae |
|
| Litsea zeylanica | Litsea | Lauraceae |
|
| Tetradium glabrifolium | Tetradium | Rutaceae | |
| Aloe microstigma | Aloe | Asphodelaceae | |
| Tetraneuris acaulis | Tetraneuris | Asteraceae | |
| Cardamine pinnata | Cardamine | Brassicaceae | |
| Codonocarpus australis | Codonocarpus | Gyrostemonaceae | |
| Schizonepeta multifida | Schizonepeta | Lamiaceae | |
| Swertia japonica | Swertia | Gentianaceae |
|
| Quercus serrata | Quercus | Fagaceae |
|
| Crateva nurvala | Crateva | Capparaceae |
|
| Polygala amara | Polygala | Polygalaceae |
|
| Stephania sutchuenensis | Stephania | Menispermaceae | |
| Unonopsis glaucopetala | Unonopsis | Annonaceae | |
| Rubus rosa | Rubus | Rosaceae |
|
| Artemisia argyi | Artemisia | Asteraceae |
|
| Pleogyne cunninghamii | Pleogyne | Menispermaceae | |
| Pyrola decorata | Pyrola | Ericaceae |
|
| Pleogyne cunninghami | Pleogyne | Menispermaceae | |
| Euonymus nanoides | Euonymus | Celastraceae | |
| Cerbera dilatata | Cerbera | Apocynaceae | |
| Achillea clypeolata | Achillea | Asteraceae | |
| Bridelia ferruginea | Bridelia | Phyllanthaceae |
|
| Berberis julianae | Berberis | Berberidaceae |
|
| Zieria smithii | Zieria | Rutaceae | |
| Bystropogon origanifolius | Bystropogon | Lamiaceae | |
| Origanum vulgare | Origanum | Lamiaceae |
|
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Epimedium brevicornum | Epimedium | Berberidaceae |
|
| Nelumbo nucifera | Nelumbo | Nelumbonaceae |
|
| Rheedia acuminata | Rheedia | Clusiaceae |
|
| Acacia aulacocarpa | Acacia | Fabaceae | |
| Aspidosperma subincanum | Aspidosperma | Apocynaceae |
|
| Corynanthe pachyceras | Corynanthe | Rubiaceae | |
| Ardisia neriifolia | Ardisia | Primulaceae | |
| Capuronianthus mahafalensis | Capuronianthus | Meliaceae | |
| Psiadia dentata | Psiadia | Asteraceae | |
| Peritassa compta | Peritassa | Celastraceae | |
| Eupatorium argentinum | Eupatorium | Asteraceae | |
| Picea vulgaris | Picea | Pinaceae | |
| Peucedanum oroselinum | Peucedanum | Apiaceae | |
| Cynoglossum amabile | Cynoglossum | Boraginaceae |
|
| Euphorbia humifusa | Euphorbia | Euphorbiaceae |
|
| Catharanthus roseus | Catharanthus | Apocynaceae |
|
| Cryptocarya aschersoniana | Cryptocarya | Lauraceae | |
| Jacobaea subalpina | Jacobaea | Asteraceae | |
| Juniperus brevifolia | Juniperus | Cupressaceae | |
| Atalantia wightii | Atalantia | Rutaceae | |
| Citrus aurantium | Citrus | Rutaceae |
|
| Guatteria boliviana | Guatteria | Annonaceae | |
| Solanum olgae | Solanum | Solanaceae | |
| Anemone flaccida | Anemone | Ranunculaceae |
|
| Patrinia villosa | Patrinia | Caprifoliaceae |
|
| Papaver somniferum | Papaver | Papaveraceae |
|
| Erythroxylum passerinum | Erythroxylum | Erythroxylaceae |
Ingredient ID: NPC70201
Formula: C6H7NO
Ingredient ID: NPC70201
| Common Name | 4-Aminophenol |
| IUPAC Name | 4-azaniumylphenolate |
| Canonical SMILES | Nc1ccc(cc1)O |
| Standard InCHI | InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 |
| Standard InCHIKey | PLIKAWJENQZMHA-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 13283155;403 ChEMBL ID: CHEMBL1142 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC70201] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
Ingredient ID: NPC33338
Formula: C10H13NO2
Ingredient ID: NPC33338
| Common Name | (1S)-1-Methyl-1,2,3,4-Tetrahydroisoquinoline-6,7-Diol |
| IUPAC Name | (1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Canonical SMILES | C[C@@H]1NCCc2c1cc(O)c(c2)O |
| Standard InCHI | InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1 |
| Standard InCHIKey | IBRKLUSXDYATLG-LURJTMIESA-N |
| Ingredient External Links |
PubChem CID: 91588 ChEMBL ID: CHEMBL1195032 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC33338] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Orthosphenia mexicana | Orthosphenia | Celastraceae | |
| Eupatorium gracile | Eupatorium | Asteraceae |
|
| Baccharis megapotamica | Baccharis | Asteraceae | |
| Alstonia deplanchei | Alstonia | Apocynaceae | |
| Stevia mercedensis | Stevia | Asteraceae | |
| Senecio latifolius | Senecio | Asteraceae | |
| Aconitum triphyllum | Aconitum | Ranunculaceae | |
| Flemingia congesta | Flemingia | Fabaceae |
|
| Senecio rivularis | Senecio | Asteraceae |
|
| Ficus simplicissima | Ficus | Moraceae |
|
| Theobroma cacao | Theobroma | Malvaceae |
|
| Quercus dentata | Quercus | Fagaceae |
|
| Aconitum pseudohuiliense | Aconitum | Ranunculaceae |
|
| Erigeron crispus | Erigeron | Asteraceae | |
| Marrubium supinum | Marrubium | Lamiaceae |
|
| Cacalia bicolor | Cacalia | Asteraceae | |
| Ceratozamia fuscoviridis | Ceratozamia | Zamiaceae | |
| Styrax perkinsiae | Styrax | Styracaceae | |
| Haplophyllum dauricum | Haplophyllum | Rutaceae | |
| Solanum elaeagnifolium | Solanum | Solanaceae |
|
| Thuja standishii | Thuja | Cupressaceae |
|
| Verbesina rupestris | Verbesina | Asteraceae | |
| Asteriscus graveolens | Asteriscus | Asteraceae | |
| Swinglea glutinosa | Swinglea | Rutaceae |
|
| Citrus glauca | Citrus | Rutaceae |
|
| Strychnos tabascana | Strychnos | Loganiaceae | |
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Relhania pumila | Relhania | Asteraceae | |
| Critonia quadrangularis | Critonia | Asteraceae | |
| Aconitum ciliare | Aconitum | Ranunculaceae | |
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
| Oxyanthus speciosus | Oxyanthus | Rubiaceae |
|
| Aconitum japonicum | Aconitum | Ranunculaceae |
|
| Codium decorticatum | Codium | Codiaceae | |
| Rheum tanguticum | Rheum | Polygonaceae |
|
| Aconitum kusnezoffii | Aconitum | Ranunculaceae | |
| Metalasia bolusii | Metalasia | Asteraceae | |
| Aconitum sachalinense | Aconitum | Ranunculaceae |
|
| Annona reticulata | Annona | Annonaceae |
|
| Centrosema pascuorum | Centrosema | Fabaceae |
Ingredient ID: NPC311660
Formula: C6H7NO
Ingredient ID: NPC311660
| Common Name | Questiomycin B |
| IUPAC Name | 2-aminophenol |
| Canonical SMILES | Nc1ccccc1O |
| Standard InCHI | InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 |
| Standard InCHIKey | CDAWCLOXVUBKRW-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5801 ZINC ID: ZINC000000157526 ChEMBL ID: CHEMBL28319 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC311660] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
Ingredient ID: NPC27699
Formula: C4H4N2O2
Ingredient ID: NPC27699
| Common Name | n.a. |
| IUPAC Name | 1H-pyrimidine-2,4-dione |
| Canonical SMILES | Oc1ccnc(n1)O |
| Standard InCHI | InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) |
| Standard InCHIKey | ISAKRJDGNUQOIC-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 1174 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC27699] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Allium tuberosum | Allium | Amaryllidaceae |
|
| Fritillaria pallidiflora | Fritillaria | Liliaceae |
|
| Aloe vera | Aloe | Xanthorrhoeaceae |
|
| Pinellia pedatisecta | Pinellia | Araceae |
|
| Fritillaria delavayi | Fritillaria | Liliaceae |
|
| Fritillaria verticillata | Fritillaria | Liliaceae |
|
| Fritillaria cirrhosa | Fritillaria | Liliaceae |
|
| Fritillaria prezewalskii | Fritillaria | Liliaceae | |
| Cotyledon fimbriata turcz | Cotyledon | Crassulaceae | |
| Aconitum triphyllum | Aconitum | Ranunculaceae | |
| Aloe ferox | Aloe | Asphodelaceae |
|
| Fritillaria unibracteata | Fritillaria | Liliaceae |
|
| Angelica sinensis | Angelica | Apiaceae |
|
| Carthamus tinctorius | Carthamus | Asteraceae |
|
| Fritillaria walujewii | Fritillaria | Liliaceae |
|
| Podocarpus elongata | Podocarpus | Podocarpaceae | |
| Chrysanthemum x morifolium | Chrysanthemum | Asteraceae |
|
| Panax notoginseng | Panax | Araliaceae |
|
| Chrysanthemum indicum | Chrysanthemum | Asteraceae |
|
| Fritillaria przewalskii | Fritillaria | Liliaceae |
|
| Gastrodia elata | Gastrodia | Orchidaceae |
|
| Xanthium strumarium | Xanthium | Asteraceae |
|
| Fritillaria taipaiensis | Fritillaria | Liliaceae | |
| Ginkgo biloba | Ginkgo | Ginkgoaceae |
|
| Typha orientalis | Typha | Typhaceae |
|
| Aloe spicata | Aloe | Asphodelaceae |
|
| Eschweilera coriacea | Eschweilera | Lecythidaceae |
|
| Pogostemon cablin | Pogostemon | Lamiaceae |
|
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Aloe africana | Aloe | Xanthorrhoeaceae |
|
| Eucalyptus cladocalyx | Eucalyptus | Myrtaceae |
|
| Fritillaria thunbergii | Fritillaria | Liliaceae |
|
| Arum ternatum thunb | Arum | Araceae | |
| Aconitum ciliare | Aconitum | Ranunculaceae | |
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
| Fritillaria ussuriensis | Fritillaria | Liliaceae |
|
| Ulva pertusa | Ulva | Ulvaceae |
|
| Ziziphus jujuba | Ziziphus | Rhamnaceae |
|
| Lagotis brevituba | Lagotis | Plantaginaceae | |
| Salvadora persica | Salvadora | Salvadoraceae |
|
| Hedysarum polybotrys | Hedysarum | Fabaceae |
|
| Aconitum japonicum | Aconitum | Ranunculaceae |
|
| Fritillaria hupehensis | Fritillaria | Liliaceae |
|
| Aconitum kusnezoffii | Aconitum | Ranunculaceae | |
| Crocus sativus | Crocus | Iridaceae |
|
| Zanthoxylum nitidum | Zanthoxylum | Rutaceae |
|
| Typha angustifolia | Typha | Typhaceae |
|
| Peltodon longipes | Peltodon | Lamiaceae |
Ingredient ID: NPC256838
Formula: C6H7NO
Ingredient ID: NPC256838
| Common Name | 3-Aminophenol |
| IUPAC Name | 3-aminophenol |
| Canonical SMILES | Nc1cccc(c1)O |
| Standard InCHI | InChI=1S/C6H7NO/c7-5-2-1-3-6(8)4-5/h1-4,8H,7H2 |
| Standard InCHIKey | CWLKGDAVCFYWJK-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 11568 ZINC ID: ZINC000000157527 ChEMBL ID: CHEMBL269755 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC256838] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
Ingredient ID: NPC215445
Formula: C6H7NO
Ingredient ID: NPC215445
| Common Name | O-Phenylhydroxylamine |
| IUPAC Name | O-phenylhydroxylamine |
| Canonical SMILES | NOc1ccccc1 |
| Standard InCHI | InChI=1S/C6H7NO/c7-8-6-4-2-1-3-5-6/h1-5H,7H2 |
| Standard InCHIKey | UOKZUTXLHRTLFH-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 2794249 ChEMBL ID: CHEMBL1213940 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC215445] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
Ingredient ID: NPC211468
Formula: C16H17NO3
Ingredient ID: NPC211468
| Common Name | 1-(4-Hydroxy-Benzyl)-1,2,3,4-Tetrahydro-Isoquinoline-6,7-Diol |
| IUPAC Name | 1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Canonical SMILES | Oc1ccc(cc1)CC1NCCc2c1cc(O)c(c2)O |
| Standard InCHI | InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2 |
| Standard InCHIKey | WZRCQWQRFZITDX-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 114840 ChEMBL ID: CHEMBL19344 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC211468] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Aconitum triphyllum | Aconitum | Ranunculaceae | |
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Nelumbo nucifera | Nelumbo | Nelumbonaceae |
|
| Aconitum ciliare | Aconitum | Ranunculaceae | |
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
| Asarum sieboldii | Asarum | Aristolochiaceae |
|
| Aconitum japonicum | Aconitum | Ranunculaceae |
|
| Aconitum kusnezoffii | Aconitum | Ranunculaceae |
Ingredient ID: NPC172769
Formula: C34H47NO10
Ingredient ID: NPC172769
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COC[C@]12CC[C@@H]([C@@]34[C@@H]2[C@@H](OC)C(C3N(C1)CC)[C@@]1([C@@H]2[C@H]4C[C@@]([C@@H]2OC(=O)c2ccccc2)([C@H]([C@@H]1O)OC)O)OC(=O)C)OC |
| Standard InCHI | InChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21+,22-,23?,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1 |
| Standard InCHIKey | PHASMOUKYDUAOZ-AUQPBFSASA-N |
| Ingredient External Links |
PubChem CID: 44445634 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC172769] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Aconitum triphyllum | Aconitum | Ranunculaceae | |
| Veratrum nigrum | Veratrum | Melanthiaceae |
|
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Aconitum ciliare | Aconitum | Ranunculaceae | |
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
| Aconitum japonicum | Aconitum | Ranunculaceae |
|
| Aconitum kusnezoffii | Aconitum | Ranunculaceae |
Ingredient ID: NPC170170
Formula: C16H17NO3
Ingredient ID: NPC170170
| Common Name | (+)-Higenamine |
| IUPAC Name | (1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol |
| Canonical SMILES | Oc1ccc(cc1)C[C@H]1NCCc2c1cc(O)c(c2)O |
| Standard InCHI | InChI=1S/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2/t14-/m1/s1 |
| Standard InCHIKey | WZRCQWQRFZITDX-CQSZACIVSA-N |
| Ingredient External Links |
PubChem CID: 440988 ZINC ID: ZINC000000896041 ChEMBL ID: CHEMBL501778 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC170170] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Aconitum triphyllum | Aconitum | Ranunculaceae | |
| Melia azedarach | Melia | Meliaceae |
|
| Tetradium ruticarpum | Tetradium | Rutaceae |
|
| Murraya paniculata | Murraya | Rutaceae |
|
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Nelumbo nucifera | Nelumbo | Nelumbonaceae |
|
| Aconitum ciliare | Aconitum | Ranunculaceae | |
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
| Asarum sieboldii | Asarum | Aristolochiaceae |
|
| Aconitum japonicum | Aconitum | Ranunculaceae |
|
| Aconitum kusnezoffii | Aconitum | Ranunculaceae |
Ingredient ID: NPC166521
Formula: C32H45NO10
Ingredient ID: NPC166521
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COC[C@@]12CN(C)C3[C@]4([C@@H]2[C@@H](OC)C3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2O)OC)O)OC)[C@H](C[C@H]1O)OC |
| Standard InCHI | InChI=1S/C32H45NO10/c1-33-14-29(15-38-2)18(34)12-19(39-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(42-6,25(35)27(30)41-5)21(24(31)33)22(40-4)23(29)31/h7-11,17-27,34-35,37H,12-15H2,1-6H3/t17-,18-,19+,20-,21?,22+,23-,24?,25+,26-,27+,29+,30-,31+,32-/m1/s1 |
| Standard InCHIKey | GPKLKIFNFCDMHE-XITSQESGSA-N |
| Ingredient External Links |
PubChem CID: 44445633 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC166521] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
Ingredient ID: NPC152778
Formula: C20H28O4
Ingredient ID: NPC152778
| Common Name | n.a. |
| IUPAC Name | 4-[(E)-2-[(1R,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one |
| Canonical SMILES | OC[C@]1(C)[C@H](O)CC[C@@]2(C1CCC(=C)[C@H]2/C=C/C1=CCOC1=O)C |
| Standard InCHI | InChI=1S/C20H28O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,9,15-17,21-22H,1,4,7-8,10-12H2,2-3H3/b6-5+/t15-,16?,17-,19+,20+/m1/s1 |
| Standard InCHIKey | XMJAJFVLHDIEHF-XKZZETQMSA-N |
| Ingredient External Links |
PubChem CID: 9905648 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC152778] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Andrographis paniculata | Andrographis | Acanthaceae |
|
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
Ingredient ID: NPC106840
Formula: C35H49NO11
Ingredient ID: NPC106840
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COC[C@@]12CN(CC)C3[C@]4([C@@H]2[C@@H](OC)[C@@H]3[C@@]2([C@@H]3[C@H]4C[C@@]([C@@H]3OC(=O)c3ccc(cc3)OC)([C@H](C2)OC)O)OC(=O)C)[C@H](C[C@H]1O)OC |
| Standard InCHI | InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22-,23+,24+,25-,26+,27+,28-,29?,30-,32+,33+,34-,35+/m1/s1 |
| Standard InCHIKey | LLEMSCWAKNQHHA-SQJQOUDQSA-N |
| Ingredient External Links |
PubChem CID: 6918110 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC106840] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Aconitum triphyllum | Aconitum | Ranunculaceae | |
| Aconitum episcopale | Aconitum | Ranunculaceae | |
| Peucedanum rubricaule | Peucedanum | Apiaceae |
|
| Murraya paniculata | Murraya | Rutaceae |
|
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Aconitum ciliare | Aconitum | Ranunculaceae | |
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
| Aconitum vilmorinianum | Aconitum | Ranunculaceae | |
| Aconitum japonicum | Aconitum | Ranunculaceae |
|
| Aconitum kusnezoffii | Aconitum | Ranunculaceae |
Ingredient ID: NPC105513
Formula: C11H17NO3
Ingredient ID: NPC105513
| Common Name | Mescaline |
| IUPAC Name | 2-(3,4,5-trimethoxyphenyl)ethanamine |
| Canonical SMILES | NCCc1cc(OC)c(c(c1)OC)OC |
| Standard InCHI | InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3 |
| Standard InCHIKey | RHCSKNNOAZULRK-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 4076 ZINC ID: ZINC000000001689 ChEMBL ID: CHEMBL26687 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC105513] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Lophophora williamsii | Lophophora | Cactaceae |
|
| Aconitum carmichaeli | Aconitum | Ranunculaceae |
|
| Aconitum carmichaelii | Aconitum | Ranunculaceae |
|
| Myristica fragrans | Myristica | Myristicaceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC105513 | C11H17NO3 | Mescaline | 211.12 | -0.6381 | 2.23 | 0.735 | 1 | 1 | 53.71 | 9 | 1 | 15 | 0 |
| NPC106840 | C35H49NO11 | 659.3305614 | -2.561 | 3.99 | 0.473 | 12 | 2 | 142.45 | 21 | 7 | 47 | 2 | |
| NPC152778 | C20H28O4 | 332.1987594 | 0.7174 | 3.22 | 3.836 | 4 | 2 | 66.76 | 7 | 3 | 24 | 0 | |
| NPC166521 | C32H45NO10 | 603.3043466 | -4.2575 | 3.77 | 0.876 | 11 | 3 | 136.38 | 18 | 7 | 43 | 1 | |
| NPC170170 | C16H17NO3 | (+)-Higenamine | 271.12 | -1.5221 | 2.78 | 2.146 | 1 | 4 | 72.72 | 5 | 3 | 20 | 0 |
| NPC172769 | C34H47NO10 | 629.3199967 | -3.4634 | 3.99 | 2.55 | 11 | 2 | 133.22 | 19 | 7 | 45 | 2 | |
| NPC211468 | C16H17NO3 | 1-(4-Hydroxy-Benzyl)-1,2,3,4-Tetrahydro-Isoquinoline-6,7-Diol | 271.12 | -1.5221 | 2.78 | 2.146 | 1 | 4 | 72.72 | 5 | 3 | 20 | 0 |
| NPC215445 | C6H7NO | O-Phenylhydroxylamine | 109.05 | -0.7496 | 1.9 | 1.534 | 0 | 1 | 35.25 | 2 | 1 | 8 | 0 |
| NPC256838 | C6H7NO | 3-Aminophenol | 109.05 | -1.2102 | 1.9 | 0.803 | 1 | 2 | 46.25 | 2 | 1 | 8 | 0 |
| NPC27699 | C4H4N2O2 | 112.0272774 | -0.9206 | 1.46 | -0.462 | 2 | 2 | 66.24 | 2 | 1 | 8 | 0 | |
| NPC311660 | C6H7NO | Questiomycin B | 109.05 | -1.2102 | 1.9 | 1.232 | 1 | 2 | 46.25 | 2 | 1 | 8 | 0 |
| NPC33338 | C10H13NO2 | (1S)-1-Methyl-1,2,3,4-Tetrahydroisoquinoline-6,7-Diol | 179.09 | -1.0729 | 2.23 | 0.899 | 1 | 3 | 52.49 | 3 | 2 | 13 | 0 |
| NPC70201 | C6H7NO | 4-Aminophenol | 109.05 | -1.2102 | 1.9 | 0.803 | 1 | 2 | 46.25 | 2 | 1 | 8 | 0 |
| NPC88278 | C6H12O6 | Inositol | 180.06 | -3.0642 | 1.46 | -1.458 | 6 | 6 | 121.38 | 6 | 1 | 12 | 1 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
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