Ingredient ID: NPC67978
Formula: C21H23NO5
Common Name | Allocryptopine |
IUPAC Name | n.a. |
Canonical SMILES | COc1c(OC)ccc2c1CN(C)CCc1c(C(=O)C2)cc2c(c1)OCO2 |
Standard InCHI | InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3 |
Standard InCHIKey | HYBRYAPKQCZIAE-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 98570 ZINC ID: ZINC000019204597 ChEMBL ID: CHEMBL520043 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC67978] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Artabotrys maingayi | Artabotrys | Annonaceae | |
Chelidonium majus | Chelidonium | Papaveraceae | |
Thalictrum atriplex | Thalictrum | Ranunculaceae | |
Thalictrum foliolosum | Thalictrum | Ranunculaceae | |
Erythrophleum suaveolens | Erythrophleum | Fabaceae | |
Corydalis turtschaninovii | Corydalis | Papaveraceae | |
Corydalis decumbens | Corydalis | Papaveraceae | |
Thalictrum glandulosissimum | Thalictrum | Ranunculaceae | |
Thuja plicata | Thuja | Cupressaceae | |
Thalictrum petaloideum | Thalictrum | Ranunculaceae | |
Cyperus nipponicus | Cyperus | Cyperaceae | |
Larix decidua | Larix | Pinaceae | |
Macleaya cordata | Macleaya | Papaveraceae | |
Dendrobium amplum | Dendrobium | Orchidaceae | |
Dalbergia spruceana | Dalbergia | Fabaceae | |
Thalictrum minus var. hypoleucum | Thalictrum | Ranunculaceae | |
Garcinia xanthochymus | Garcinia | Clusiaceae | |
Thalictrum faberi | Thalictrum | Ranunculaceae | |
Thalictrum simplex | Thalictrum | Ranunculaceae | |
Nuxia sphaerocephala | Nuxia | Stilbaceae | |
Hylomecon japonica | Hylomecon | Papaveraceae | |
Senna spectabilis | Senna | Fabaceae | |
Horsfieldia glabra | Horsfieldia | Myristicaceae | |
Symphytum officinale | Symphytum | Boraginaceae | |
Psacalium peltatum | Psacalium | Asteraceae | |
Diospyros ebenum | Diospyros | Ebenaceae | |
Angelica dahurica | Angelica | Apiaceae | |
Corydalis ophiocarpa | Corydalis | Papaveraceae | |
Corydalis ternata | Corydalis | Papaveraceae | |
Teclea sudanica | Teclea | Rutaceae | |
Mezzettia leptopoda | Mezzettia | Annonaceae | |
Thalictrum microgynum | Thalictrum | Ranunculaceae | |
Stachys plumosa | Stachys | Lamiaceae | |
Piper methysticum | Piper | Piperaceae | |
Lappula echinata | Lappula | Boraginaceae | |
Ligularia sagitta | Ligularia | Asteraceae | |
Corydalis remota | Corydalis | Papaveraceae | |
Ulex airensis | Ulex | Fabaceae | |
Prunus humilis | Prunus | Rosaceae | |
Corydalis rhizoma | Corydalis | Papaveraceae | |
Thalictrum thunbergii | Thalictrum | Ranunculaceae | |
Chaetomorpha moniligera | Chaetomorpha | Cladophoraceae | |
Argemone mexicana | Argemone | Papaveraceae | |
Corydalis yanhusuo | Corydalis | Papaveraceae | |
Swertia mussotii | Swertia | Gentianaceae | |
Zanthoxylum nitidum | Zanthoxylum | Rutaceae |
Ingredient ID: NPC53069
Formula: C20H18NO4
Common Name | Berberine |
IUPAC Name | n.a. |
Canonical SMILES | COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1 |
Standard InCHI | InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 |
Standard InCHIKey | YBHILYKTIRIUTE-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 2353 ChEMBL ID: CHEMBL295124 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD32432] Database: NPASS [NPC53069] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Chrysanthemum myconis | Chrysanthemum | Asteraceae | |
Hydrastis canadensis | Hydrastis | Ranunculaceae | |
Andira retusa | Andira | Fabaceae | |
Artabotrys maingayi | Artabotrys | Annonaceae | |
Baeckea frutescens | Baeckea | Myrtaceae | |
Euphorbia fortissima | Euphorbia | Euphorbiaceae | |
Chelidonium majus | Chelidonium | Papaveraceae | |
Marrubium parviflorum | Marrubium | Lamiaceae | |
Berberis fortunei | Berberis | Berberidaceae | |
Dyssodia anthemidifolia | Dyssodia | Asteraceae | |
Psathyrotes ramosissima | Psathyrotes | Asteraceae | |
Lychnophora pinaster | Lychnophora | Asteraceae | |
Theobroma speciosum | Theobroma | Malvaceae | |
Chenopodium quinoa | Chenopodium | Chenopodiaceae | |
Lespedeza maximowiczi | Lespedeza | Fabaceae | |
Coprosma foetidissima | Coprosma | Rubiaceae | |
Microglossa pyrifolia | Microglossa | Asteraceae | |
Coptis japonica | Coptis | Ranunculaceae | |
Erythrophleum suaveolens | Erythrophleum | Fabaceae | |
Corydalis turtschaninovii | Corydalis | Papaveraceae | |
Cissampelos pareira | Cissampelos | Menispermaceae | |
Corydalis decumbens | Corydalis | Papaveraceae | |
Parthenium confertum | Parthenium | Asteraceae | |
Harpullia cupanioides | Harpullia | Sapindaceae | |
Trifolium diffusum | Trifolium | Fabaceae | |
Androsace septentrionalis | Androsace | Primulaceae | |
Youngia japonica | Youngia | Asteraceae | |
Dunaliella salina | Dunaliella | Dunaliellaceae | |
Eriocephalus kingesii | Eriocephalus | Asteraceae | |
Balanophora polyandra | Balanophora | Balanophoraceae | |
Lilium brownii | Lilium | Liliaceae | |
Lilium rubrum | Lilium | Liliaceae | |
Lobelia syphilitica | Lobelia | Campanulaceae | |
Cryptocarya chinensis | Cryptocarya | Lauraceae | |
Citrus medica | Citrus | Rutaceae | |
Isodon wikstroemioides | Isodon | Lamiaceae | |
Panicum crus-galli | Panicum | Poaceae | |
Calocephalus knappii | Calocephalus | Asteraceae | |
Scleropyrum wallichianum | Scleropyrum | Cervantesiaceae | |
Thuja plicata | Thuja | Cupressaceae | |
Trifolium dubium | Trifolium | Fabaceae | |
Cyperus nipponicus | Cyperus | Cyperaceae | |
Isodon eriocalyx | Isodon | Lamiaceae | |
Veronica stricta | Veronica | Plantaginaceae | |
Dendrobium amplum | Dendrobium | Orchidaceae | |
Dalbergia spruceana | Dalbergia | Fabaceae | |
Panax quinquefolius | Panax | Araliaceae | |
Zanthoxylum ocumarense | Zanthoxylum | Rutaceae | |
Pilosocereus chrysacanthus | Pilosocereus | Cactaceae | |
Nuxia sphaerocephala | Nuxia | Stilbaceae | |
Phellodendron chinense | Phellodendron | Rutaceae | |
Alhagi maurorum | Alhagi | Fabaceae | |
Senna spectabilis | Senna | Fabaceae | |
Coptis deltoidea | Coptis | Ranunculaceae | |
Notholaena schaffneri | Notholaena | Pteridaceae | |
Horsfieldia glabra | Horsfieldia | Myristicaceae | |
Symphytum officinale | Symphytum | Boraginaceae | |
Fibraurea recisa | Fibraurea | Menispermaceae | |
Psacalium peltatum | Psacalium | Asteraceae | |
Phellodendron amurense | Phellodendron | Rutaceae | |
Diospyros ebenum | Diospyros | Ebenaceae | |
Angelica dahurica | Angelica | Apiaceae | |
Corydalis ophiocarpa | Corydalis | Papaveraceae | |
Corydalis ternata | Corydalis | Papaveraceae | |
Plectranthus ernstii | Plectranthus | Lamiaceae | |
Teclea sudanica | Teclea | Rutaceae | |
Mezzettia leptopoda | Mezzettia | Annonaceae | |
Stachys plumosa | Stachys | Lamiaceae | |
Piper methysticum | Piper | Piperaceae | |
Phymatopteris hastata | Phymatopteris | Polypodiaceae | |
Lappula echinata | Lappula | Boraginaceae | |
Ligularia sagitta | Ligularia | Asteraceae | |
Phellodendron chinese | Phellodendron | Rutaceae | |
Cussonia racemosa | Cussonia | Araliaceae | |
Eupatorium glandulosum | Eupatorium | Asteraceae | |
Sideritis ferrensis | Sideritis | Lamiaceae | |
Radula voluta | Radula | Radulaceae | |
Euphorbia broteri | Euphorbia | Euphorbiaceae | |
Zamia spiralis | Zamia | Zamiaceae | |
Coptis teeta | Coptis | Ranunculaceae | |
Ulex airensis | Ulex | Fabaceae | |
Chaetomorpha moniligera | Chaetomorpha | Cladophoraceae | |
Geranium collinum | Geranium | Geraniaceae | |
Lilium lancifolium | Lilium | Liliaceae | |
Polygonatum polyanthemum | Polygonatum | Asparagaceae | |
Coptis chinensis | Coptis | Ranunculaceae | |
Chenopodiastrum murale | Chenopodiastrum | Chenopodiaceae | |
Girgensohnia oppositiflora | Girgensohnia | Chenopodiaceae | |
Astragalus trojanus | Astragalus | Fabaceae | |
Piper retrofractum | Piper | Piperaceae | |
Davidsonia pruriens | Davidsonia | Cunoniaceae | |
Aloe saponaria | Aloe | Asphodelaceae | |
Lilium pumilum | Lilium | Liliaceae | |
Artocarpus incisa | Artocarpus | Moraceae | |
Ligularia nelumbifolia | Ligularia | Asteraceae | |
Corydalis yanhusuo | Corydalis | Papaveraceae | |
Berberis oblonga | Berberis | Berberidaceae | |
Aralia hispida | Aralia | Araliaceae |
Ingredient ID: NPC5238
Formula: C20H23NO4
Common Name | (S)-3-Hydroxyl-2,9,10-Trimethoxytetrahyrdooxyprotoberberine |
IUPAC Name | (13aS)-2,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol |
Canonical SMILES | COc1c(OC)ccc2c1CN1CCc3c([C@@H]1C2)cc(c(c3)O)OC |
Standard InCHI | InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1 |
Standard InCHIKey | BMCZTYDZHNTKPR-INIZCTEOSA-N |
Ingredient External Links |
PubChem CID: 11186895 ZINC ID: ZINC000029746996 ChEMBL ID: CHEMBL2334885 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC5238] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Erythrophleum suaveolens | Erythrophleum | Fabaceae | |
Corydalis turtschaninovii | Corydalis | Papaveraceae | |
Cyperus nipponicus | Cyperus | Cyperaceae | |
Dendrobium amplum | Dendrobium | Orchidaceae | |
Dalbergia spruceana | Dalbergia | Fabaceae | |
Nuxia sphaerocephala | Nuxia | Stilbaceae | |
Notholaena schaffneri | Notholaena | Pteridaceae | |
Horsfieldia glabra | Horsfieldia | Myristicaceae | |
Fibraurea recisa | Fibraurea | Menispermaceae | |
Corydalis ternata | Corydalis | Papaveraceae | |
Eupatorium glandulosum | Eupatorium | Asteraceae | |
Sideritis ferrensis | Sideritis | Lamiaceae | |
Radula voluta | Radula | Radulaceae | |
Euphorbia broteri | Euphorbia | Euphorbiaceae | |
Zamia spiralis | Zamia | Zamiaceae | |
Piper retrofractum | Piper | Piperaceae | |
Corydalis yanhusuo | Corydalis | Papaveraceae |
Ingredient ID: NPC308267
Formula: C20H19NO5
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | CN1CCc2cc3OCOc3cc2C(=O)Cc2c(C1)c1OCOc1cc2 |
Standard InCHI | InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3 |
Standard InCHIKey | GPTFURBXHJWNHR-UHFFFAOYSA-N |
Ingredient External Links |
PubChem CID: 4970 ChEMBL ID: CHEMBL453019 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD76793] Database: NPASS [NPC308267] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Chrozophora prostrata | Chrozophora | Euphorbiaceae | |
Artabotrys maingayi | Artabotrys | Annonaceae | |
Chelidonium majus | Chelidonium | Papaveraceae | |
Erythrophleum suaveolens | Erythrophleum | Fabaceae | |
Corydalis turtschaninovii | Corydalis | Papaveraceae | |
Corydalis decumbens | Corydalis | Papaveraceae | |
Thuja plicata | Thuja | Cupressaceae | |
Cyperus nipponicus | Cyperus | Cyperaceae | |
Larix decidua | Larix | Pinaceae | |
Dendrobium amplum | Dendrobium | Orchidaceae | |
Dalbergia spruceana | Dalbergia | Fabaceae | |
Corydalis cava | Corydalis | Papaveraceae | |
Nuxia sphaerocephala | Nuxia | Stilbaceae | |
Phellodendron chinense | Phellodendron | Rutaceae | |
Senna spectabilis | Senna | Fabaceae | |
Horsfieldia glabra | Horsfieldia | Myristicaceae | |
Symphytum officinale | Symphytum | Boraginaceae | |
Psacalium peltatum | Psacalium | Asteraceae | |
Phellodendron amurense | Phellodendron | Rutaceae | |
Diospyros ebenum | Diospyros | Ebenaceae | |
Aloe microstigma | Aloe | Asphodelaceae | |
Angelica dahurica | Angelica | Apiaceae | |
Corydalis ophiocarpa | Corydalis | Papaveraceae | |
Corydalis ternata | Corydalis | Papaveraceae | |
Teclea sudanica | Teclea | Rutaceae | |
Mezzettia leptopoda | Mezzettia | Annonaceae | |
Stachys plumosa | Stachys | Lamiaceae | |
Piper methysticum | Piper | Piperaceae | |
Lappula echinata | Lappula | Boraginaceae | |
Ligularia sagitta | Ligularia | Asteraceae | |
Phellodendron chinese | Phellodendron | Rutaceae | |
Ulex airensis | Ulex | Fabaceae | |
Panax ginseng | Panax | Araliaceae | |
Prunus humilis | Prunus | Rosaceae | |
Corydalis bungeanae herba | Corydalis | Papaveraceae | |
Corydalis rhizoma | Corydalis | Papaveraceae | |
Chaetomorpha moniligera | Chaetomorpha | Cladophoraceae | |
Allium sativum | Allium | Amaryllidaceae | |
Corydalis yanhusuo | Corydalis | Papaveraceae | |
Swertia mussotii | Swertia | Gentianaceae | |
Papaver somniferum | Papaver | Papaveraceae |
Ingredient ID: NPC270558
Formula: C20H17NO5
Common Name | n.a. |
IUPAC Name | n.a. |
Canonical SMILES | CN1[C@H]2O[C@@]3([C@H]1Cc1c3cc3c(c1)OCO3)Cc1c2c2OCOc2cc1 |
Standard InCHI | InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1 |
Standard InCHIKey | HJDZNSLTBDNJJW-UXPWSPDFSA-N |
Ingredient External Links |
PubChem CID: 5459059 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD186318] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Erythrophleum suaveolens | Erythrophleum | Fabaceae | |
Cyperus nipponicus | Cyperus | Cyperaceae | |
Dendrobium amplum | Dendrobium | Orchidaceae | |
Dalbergia spruceana | Dalbergia | Fabaceae | |
Nuxia sphaerocephala | Nuxia | Stilbaceae | |
Horsfieldia glabra | Horsfieldia | Myristicaceae |
Ingredient ID: NPC246587
Formula: C20H25NO4
Common Name | n.a. |
IUPAC Name | (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
Canonical SMILES | COc1cc2CCN([C@H](c2cc1O)Cc1ccc(c(c1)OC)OC)C |
Standard InCHI | InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m0/s1 |
Standard InCHIKey | OKORHWXYDBSYNO-INIZCTEOSA-N |
Ingredient External Links |
PubChem CID: 20056510 ZINC ID: ZINC000001715842 |
Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC246587] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Chrozophora prostrata | Chrozophora | Euphorbiaceae | |
Erythrophleum suaveolens | Erythrophleum | Fabaceae | |
Cyperus nipponicus | Cyperus | Cyperaceae | |
Dendrobium amplum | Dendrobium | Orchidaceae | |
Dalbergia spruceana | Dalbergia | Fabaceae | |
Nuxia sphaerocephala | Nuxia | Stilbaceae | |
Horsfieldia glabra | Horsfieldia | Myristicaceae | |
Aloe microstigma | Aloe | Asphodelaceae | |
Papaver somniferum | Papaver | Papaveraceae |
Ingredient ID: NPC188163
Formula: C21H27NO4
Common Name | (1S)-1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinoline |
IUPAC Name | (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline |
Canonical SMILES | COc1cc(ccc1OC)C[C@@H]1N(C)CCc2c1cc(OC)c(c2)OC |
Standard InCHI | InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3/t17-/m0/s1 |
Standard InCHIKey | KGPAYJZAMGEDIQ-KRWDZBQOSA-N |
Ingredient External Links |
PubChem CID: 73397 ChEMBL ID: CHEMBL519894 |
Plant-Ingredient Association Reference |
Database: UNPD [UNPD195024] Database: NPASS [NPC188163] |
Plant Name | Plant Genus | Plant Family | Plant Usage |
---|---|---|---|
Chrozophora prostrata | Chrozophora | Euphorbiaceae | |
Erythrophleum suaveolens | Erythrophleum | Fabaceae | |
Cyperus nipponicus | Cyperus | Cyperaceae | |
Dendrobium amplum | Dendrobium | Orchidaceae | |
Dalbergia spruceana | Dalbergia | Fabaceae | |
Nuxia sphaerocephala | Nuxia | Stilbaceae | |
Horsfieldia glabra | Horsfieldia | Myristicaceae | |
Aloe microstigma | Aloe | Asphodelaceae | |
Papaver somniferum | Papaver | Papaveraceae |
Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NPC188163 | C21H27NO4 | (1S)-1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxy-2-Methyl-3,4-Dihydro-1H-Isoquinoline | 357.19 | 0.1875 | 3.22 | 3.069 | 1 | 0 | 40.16 | 11 | 3 | 26 | 0 |
NPC246587 | C20H25NO4 | 343.1783583 | -0.221 | 3.11 | 2.55 | 1 | 1 | 51.16 | 10 | 3 | 25 | 0 | |
NPC270558 | C20H17NO5 | 351.1106726 | -0.4635 | 3 | 2.207 | 2 | 0 | 49.39 | 0 | 7 | 26 | 0 | |
NPC308267 | C20H19NO5 | 353.13 | -0.4401 | 3 | 1.86 | 2 | 0 | 57.23 | 1 | 5 | 26 | 0 | |
NPC5238 | C20H23NO4 | (S)-3-Hydroxyl-2,9,10-Trimethoxytetrahyrdooxyprotoberberine | 341.16 | -0.3117 | 3.11 | 2.029 | 1 | 1 | 51.16 | 7 | 4 | 25 | 0 |
NPC53069 | C20H18NO4 | Berberine | 336.12 | -1.583 | 3.11 | 2.896 | 0 | 0 | 40.8 | 4 | 5 | 25 | 0 |
NPC67978 | C21H23NO5 | Allocryptopine | 369.16 | -0.241 | 3.11 | 1.933 | 2 | 0 | 57.23 | 5 | 4 | 27 | 0 |