16 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.
5 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC99659
Formula: C21H25NO4
Ingredient ID: NPC99659
| Common Name | Glaucine |
| IUPAC Name | (6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| Canonical SMILES | COc1cc2c(cc1OC)C[C@H]1c3c2c(OC)c(OC)cc3CCN1C |
| Standard InCHI | InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1 |
| Standard InCHIKey | RUZIUYOSRDWYQF-HNNXBMFYSA-N |
| Ingredient External Links |
PubChem CID: 16754 ZINC ID: ZINC000000607911 ChEMBL ID: CHEMBL228082 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC99659] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Chrozophora prostrata | Chrozophora | Euphorbiaceae |
 |
| Corydalis turtschaninovii | Corydalis | Papaveraceae |
 |
| Fissistigma oldhamii | Fissistigma | Annonaceae | |
| Glaucium flavum | Glaucium | Papaveraceae |
|
| Aloe microstigma | Aloe | Asphodelaceae | |
| Corydalis ternata | Corydalis | Papaveraceae | |
| Nandina domestica | Nandina | Berberidaceae |
 |
| Prunus humilis | Prunus | Rosaceae |
|
| Corydalis rhizoma | Corydalis | Papaveraceae | |
| Corydalis yanhusuo | Corydalis | Papaveraceae |
|
| Papaver somniferum | Papaver | Papaveraceae |
 |
Ingredient ID: NPC96123
Formula: C20H27NO11
Ingredient ID: NPC96123
| Common Name | n.a. |
| IUPAC Name | (2R)-2-phenyl-2-[(2R,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile |
| Canonical SMILES | OCC1O[C@@H](OCC2O[C@@H](O[C@H](c3ccccc3)C#N)C([C@@H]([C@@H]2O)O)O)C([C@@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11?,12?,13+,14+,15+,16+,17?,18?,19+,20+/m0/s1 |
| Standard InCHIKey | XUCIJNAGGSZNQT-ZPVJLWCPSA-N |
| Ingredient External Links |
PubChem CID: 24801909 |
| Plant-Ingredient Association Reference |
Database: TM-MC |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus persica | Prunus | Rosaceae |
|
| Prunus japonica | Prunus | Rosaceae |
|
| Prunus sibirica | Prunus | Rosaceae |
|
| Prunus mandshurica | Prunus | Rosaceae | |
| Prunus humilis | Prunus | Rosaceae |
|
| Prunus davidiana | Prunus | Rosaceae |
|
| Prunus armeniaca | Prunus | Rosaceae |
|
Ingredient ID: NPC96010
Formula: C27H39NO3
Ingredient ID: NPC96010
| Common Name | Jervine |
| IUPAC Name | (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one |
| Canonical SMILES | O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2C(=O)C2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C |
| Standard InCHI | InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1 |
| Standard InCHIKey | CLEXYFLHGFJONT-DNMILWOZSA-N |
| Ingredient External Links |
PubChem CID: 10098 ZINC ID: ZINC000004098876 ChEMBL ID: CHEMBL186779 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC96010] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Veratrum nigrum | Veratrum | Melanthiaceae |
|
| Leptactina senegambica | Leptactina | Rubiaceae | |
| Prunus humilis | Prunus | Rosaceae |
|
| Syzygium aromaticum | Syzygium | Myrtaceae |
|
| Artemisia chinensis | Artemisia | Asteraceae |
|
| Veratrum grandiflorum | Veratrum | Melanthiaceae |
|
| Tanacetum parthenium | Tanacetum | Asteraceae |
|
| Garcinia quaesita | Garcinia | Clusiaceae |
|
Ingredient ID: NPC76107
Formula: C20H21NO4
Ingredient ID: NPC76107
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)CC1=NCCc3c1c2c(OC)c(OC)c3 |
| Standard InCHI | InChI=1S/C20H21NO4/c1-22-15-9-12-7-14-18-11(5-6-21-14)8-17(24-3)20(25-4)19(18)13(12)10-16(15)23-2/h8-10H,5-7H2,1-4H3 |
| Standard InCHIKey | OYONMULSODZRLZ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 100937143 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD39872] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus humilis | Prunus | Rosaceae |
|
Ingredient ID: NPC67978
Formula: C21H23NO5
Ingredient ID: NPC67978
| 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] |
Distribution of the ingredient across plants
| 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: NPC37439
Formula: C18H21NO3
Ingredient ID: NPC37439
| Common Name | n.a. |
| IUPAC Name | (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol |
| Canonical SMILES | COc1cc2CCN([C@@H](c2cc1O)Cc1ccc(cc1)O)C |
| Standard InCHI | InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/t16-/m1/s1 |
| Standard InCHIKey | BOKVLBSSPUTWLV-MRXNPFEDSA-N |
| Ingredient External Links |
PubChem CID: 440595 ZINC ID: ZINC000000895617 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Magnolia obovata | Magnolia | Magnoliaceae |
|
| Solanum lasiocarpum | Solanum | Solanaceae |
|
| Phoenix dactylifera | Phoenix | Arecaceae |
|
| Aglaia odorata | Aglaia | Meliaceae |
|
| Prunus humilis | Prunus | Rosaceae |
|
| Nelumbo nucifera | Nelumbo | Nelumbonaceae |
|
| Magnolia officinalis | Magnolia | Magnoliaceae |
|
Ingredient ID: NPC36517
Formula: C20H27NO11
Ingredient ID: NPC36517
| Common Name | n.a. |
| IUPAC Name | 2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(c3ccccc3)C#N)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1 |
| Standard InCHIKey | XUCIJNAGGSZNQT-SWRVSKMJSA-N |
| Ingredient External Links |
PubChem CID: 34751 |
| Plant-Ingredient Association Reference |
Database: TM-MC |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus persica | Prunus | Rosaceae |
|
| Prunus japonica | Prunus | Rosaceae |
|
| Prunus sibirica | Prunus | Rosaceae |
|
| Prunus mandshurica | Prunus | Rosaceae | |
| Prunus humilis | Prunus | Rosaceae |
|
| Prunus davidiana | Prunus | Rosaceae |
|
| Prunus armeniaca | Prunus | Rosaceae |
|
Ingredient ID: NPC308267
Formula: C20H19NO5
Ingredient ID: NPC308267
| 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] |
Distribution of the ingredient across plants
| 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: NPC290144
Formula: C15H22N2O
Ingredient ID: NPC290144
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C1C=CN2[C@H](C1)[C@@H]1C[C@H](C2)[C@H]2N(C1)CCCC2 |
| Standard InCHI | InChI=1S/C15H22N2O/c18-13-4-6-17-9-11-7-12(15(17)8-13)10-16-5-2-1-3-14(11)16/h4,6,11-12,14-15H,1-3,5,7-10H2/t11-,12-,14+,15-/m1/s1 |
| Standard InCHIKey | HQSKZPOVBDNEGN-RJZRQDKASA-N |
| Ingredient External Links |
PubChem CID: 10060497 |
| Plant-Ingredient Association Reference |
Database: TCMID [15062] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus persica | Prunus | Rosaceae |
|
| Prunus japonica | Prunus | Rosaceae |
|
| Prunus humilis | Prunus | Rosaceae |
|
Ingredient ID: NPC279894
Formula: C27H30O15
Ingredient ID: NPC279894
| Common Name | n.a. |
| IUPAC Name | 3-[(2S,3S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Canonical SMILES | OCC1O[C@@H](O[C@H]2C(C)O[C@H]([C@H](C2O)O)Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(cc2)O)[C@@H](C([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H30O15/c1-9-23(41-27-21(36)19(34)17(32)15(8-28)40-27)20(35)22(37)26(38-9)42-25-18(33)16-13(31)6-12(30)7-14(16)39-24(25)10-2-4-11(29)5-3-10/h2-7,9,15,17,19-23,26-32,34-37H,8H2,1H3/t9?,15?,17-,19?,20?,21-,22+,23+,26+,27+/m1/s1 |
| Standard InCHIKey | ZCSDEGFPWXFQLB-XBCUURSXSA-N |
| Ingredient External Links |
PubChem CID: 44258929 |
| Plant-Ingredient Association Reference |
Database: TCMID [15061] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus persica | Prunus | Rosaceae |
|
| Prunus japonica | Prunus | Rosaceae |
|
| Bombax ceiba | Bombax | Malvaceae |
|
| Prunus humilis | Prunus | Rosaceae |
|
| Rosa multiflora | Rosa | Rosaceae |
|
Ingredient ID: NPC266389
Formula: C20H27NO11
Ingredient ID: NPC266389
| Common Name | n.a. |
| IUPAC Name | (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile |
| Canonical SMILES | OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H](c3ccccc3)C#N)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1 |
| Standard InCHIKey | XUCIJNAGGSZNQT-JHSLDZJXSA-N |
| Ingredient External Links |
PubChem CID: 656516 ZINC ID: ZINC000008214484 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC266389] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Odontites rubra | Odontites | Orobanchaceae | |
| Schistostephium rotundifolium | Schistostephium | Asteraceae | |
| Prosopis ruscifolia | Prosopis | Fabaceae |
|
| Garcinia macrophylla | Garcinia | Clusiaceae |
|
| Siphocampylus verticillatus | Siphocampylus | Campanulaceae | |
| Viburnum chingii | Viburnum | Adoxaceae | |
| Maytenus loeseneri | Maytenus | Celastraceae | |
| Aconitum kamtschaticum | Aconitum | Ranunculaceae | |
| Maytenus serrata | Maytenus | Celastraceae |
|
| Dipteronia dyeriana | Dipteronia | Aceraceae | |
| Prunus persica | Prunus | Rosaceae |
|
| Podocarpus salignus | Podocarpus | Podocarpaceae |
|
| Psychotria bahiensis | Psychotria | Rubiaceae | |
| Plectranthus mollis | Plectranthus | Lamiaceae |
|
| Dodonaea polyandra | Dodonaea | Sapindaceae |
|
| Actinidia kolomikta | Actinidia | Actinidiaceae |
|
| Murraya kwangsiensis | Murraya | Rutaceae |
|
| Veratrum stenophyllum | Veratrum | Melanthiaceae | |
| Phalaenopsis aphrodite | Phalaenopsis | Orchidaceae | |
| Sideritis syriaca | Sideritis | Lamiaceae |
|
| Prunus japonica | Prunus | Rosaceae |
|
| Prunus sibirica | Prunus | Rosaceae |
|
| Vepris pilosa | Vepris | Rutaceae | |
| Rumex dentatus | Rumex | Polygonaceae |
|
| Prunus mandshurica | Prunus | Rosaceae | |
| Garcinia cowa | Garcinia | Clusiaceae |
|
| Ophiorrhiza blumeana | Ophiorrhiza | Rubiaceae | |
| Zanthoxylum chiriquinum | Zanthoxylum | Rutaceae | |
| Chaenomeles sinensis | Chaenomeles | Rosaceae |
|
| Prunus humilis | Prunus | Rosaceae |
|
| Ongokea klaineana | Ongokea | Aptandraceae | |
| Prunus davidiana | Prunus | Rosaceae |
|
| Prunus armeniaca | Prunus | Rosaceae |
|
| Gymnanthemum amygdalinum | Gymnanthemum | Asteraceae |
|
| Aconitum vilmorinianum | Aconitum | Ranunculaceae | |
| Boronella koniambiensis | Boronella | Rutaceae | |
| Canarium strictum | Canarium | Burseraceae |
|
| Peucedanum palustre | Peucedanum | Apiaceae |
|
| Coreopsis grandiflora | Coreopsis | Asteraceae |
|
| Physalis solanaceus | Physalis | Solanaceae |
Ingredient ID: NPC249104
Formula: C27H30O16
Ingredient ID: NPC249104
| Common Name | n.a. |
| IUPAC Name | 3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Canonical SMILES | OC[C@H]1O[C@H](O[C@H]2[C@H](C)O[C@@H]([C@@H]([C@@H]2O)O)Oc2c(oc3c(c2=O)c(O)cc(c3)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O |
| Standard InCHI | InChI=1S/C27H30O16/c1-8-23(42-27-21(37)19(35)17(33)15(7-28)41-27)20(36)22(38)26(39-8)43-25-18(34)16-13(32)5-10(29)6-14(16)40-24(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17,19-23,26-33,35-38H,7H2,1H3/t8-,15+,17+,19-,20-,21+,22+,23-,26+,27+/m0/s1 |
| Standard InCHIKey | CAENGMLSMONNBU-IJOAAPTBSA-N |
| Ingredient External Links |
PubChem CID: 10304351 |
| Plant-Ingredient Association Reference |
Database: TCMID [15064] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus japonica | Prunus | Rosaceae |
|
| Prunus humilis | Prunus | Rosaceae |
|
| Baileya multiradiata | Baileya | Asteraceae |
|
Ingredient ID: NPC239854
Formula: C17H17N
Ingredient ID: NPC239854
| Common Name | 6-Methyl-5,6,6A,7-Tetrahydro-4H-Dibenzo[De,G]Quinoline |
| IUPAC Name | (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
| Canonical SMILES | CN1CCc2c3[C@H]1Cc1ccccc1c3ccc2 |
| Standard InCHI | InChI=1S/C17H17N/c1-18-10-9-12-6-4-8-15-14-7-3-2-5-13(14)11-16(18)17(12)15/h2-8,16H,9-11H2,1H3/t16-/m1/s1 |
| Standard InCHIKey | BZKUYNBAFQJRDM-MRXNPFEDSA-N |
| Ingredient External Links |
PubChem CID: 10421583 ChEMBL ID: CHEMBL281357 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD100678] Database: NPASS [NPC239854] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus humilis | Prunus | Rosaceae |
|
| Nelumbo nucifera | Nelumbo | Nelumbonaceae |
|
Ingredient ID: NPC216605
Formula: C20H27NO11
Ingredient ID: NPC216605
| Common Name | n.a. |
| IUPAC Name | (2R)-2-phenyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile |
| Canonical SMILES | OCC1OC(OCC2OC(O[C@H](c3ccccc3)C#N)C(C(C2O)O)O)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11?,12?,13?,14?,15?,16?,17?,18?,19?,20?/m0/s1 |
| Standard InCHIKey | XUCIJNAGGSZNQT-VEXRWARGSA-N |
| Ingredient External Links |
PubChem CID: 656495 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC216605] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus persica | Prunus | Rosaceae |
|
| Prunus japonica | Prunus | Rosaceae |
|
| Prunus sibirica | Prunus | Rosaceae |
|
| Prunus mandshurica | Prunus | Rosaceae | |
| Prunus humilis | Prunus | Rosaceae |
|
| Prunus davidiana | Prunus | Rosaceae |
|
| Prunus armeniaca | Prunus | Rosaceae |
|
Ingredient ID: NPC175493
Formula: C20H22O6
Ingredient ID: NPC175493
| Common Name | n.a. |
| IUPAC Name | [(3aS,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-2,4,8-trioxo-5,5a,9,9a-tetrahydro-3aH-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate |
| Canonical SMILES | CC(=CC(=O)O[C@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C(=O)[C@H]([C@H]2[C@@]1(C)C(=O)C=C2)C)C |
| Standard InCHI | InChI=1S/C20H22O6/c1-9(2)8-14(22)25-18-15-11(4)19(24)26-17(15)16(23)10(3)12-6-7-13(21)20(12,18)5/h6-8,10,12,15,17-18H,4H2,1-3,5H3/t10-,12-,15+,17-,18-,20-/m0/s1 |
| Standard InCHIKey | AUJNARNSAAQNAK-WWHLYTOASA-N |
| Ingredient External Links |
PubChem CID: 442284 ZINC ID: ZINC000004098158 |
| Plant-Ingredient Association Reference |
Database: TCMID [15065] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus japonica | Prunus | Rosaceae |
|
| Prunus humilis | Prunus | Rosaceae |
|
| Baileya multiradiata | Baileya | Asteraceae |
|
Ingredient ID: NPC122245
Formula: C20H27NO11
Ingredient ID: NPC122245
| Common Name | n.a. |
| IUPAC Name | 2-phenyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile |
| Canonical SMILES | OCC1OC(OCC2OC(OC(c3ccccc3)C#N)C(C(C2O)O)O)C(C(C1O)O)O |
| Standard InCHI | InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2 |
| Standard InCHIKey | XUCIJNAGGSZNQT-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 2180 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC122245] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Prunus persica | Prunus | Rosaceae |
|
| Prunus japonica | Prunus | Rosaceae |
|
| Prunus sibirica | Prunus | Rosaceae |
|
| Prunus mandshurica | Prunus | Rosaceae | |
| Prunus humilis | Prunus | Rosaceae |
|
| Prunus davidiana | Prunus | Rosaceae |
|
| Prunus armeniaca | Prunus | Rosaceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC122245 | C20H27NO11 | 457.1584107 | -4.0765 | 2.34 | -0.64 | 12 | 7 | 202.32 | 14 | 3 | 32 | 2 | |
| NPC175493 | C20H22O6 | [(3aS,5S,5aS,8aR,9S,9aS)-5,8a-dimethyl-1-methylidene-2,4,8-trioxo-5,5a,9,9a-tetrahydro-3aH-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate | 358.1416384 | 1.5352 | 3 | 0.781 | 6 | 0 | 86.74 | 3 | 3 | 26 | 0 |
| NPC216605 | C20H27NO11 | 457.1584107 | -4.0765 | 2.34 | -0.64 | 12 | 7 | 202.32 | 14 | 3 | 32 | 2 | |
| NPC239854 | C17H17N | 6-Methyl-5,6,6A,7-Tetrahydro-4H-Dibenzo[De,G]Quinoline | 235.14 | 0.3947 | 3.22 | 5.701 | 1 | 0 | 3.24 | 1 | 4 | 18 | 1 |
| NPC249104 | C27H30O16 | 3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | 610.1533849 | -6.139 | 2.67 | -1.188 | 11 | 10 | 265.52 | 6 | 5 | 43 | 2 |
| NPC266389 | C20H27NO11 | 457.1584107 | -4.0765 | 2.34 | -0.64 | 12 | 7 | 202.32 | 14 | 3 | 32 | 2 | |
| NPC279894 | C27H30O15 | 3-[(2S,3S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,3R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one | 594.1584703 | -5.6787 | 2.78 | -0.654 | 11 | 9 | 245.29 | 6 | 5 | 42 | 2 |
| NPC290144 | C15H22N2O | 246.1732133 | -1.8423 | 2.78 | 1.685 | 3 | 0 | 23.55 | 0 | 4 | 18 | 0 | |
| NPC308267 | C20H19NO5 | 353.13 | -0.4401 | 3 | 1.86 | 2 | 0 | 57.23 | 1 | 5 | 26 | 0 | |
| NPC36517 | C20H27NO11 | 2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile | 457.1584107 | -4.0765 | 2.34 | -0.64 | 12 | 7 | 202.32 | 7 | 3 | 32 | 2 |
| NPC37439 | C18H21NO3 | (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol | 299.1521435 | -0.5777 | 3 | 2.475 | 1 | 2 | 52.93 | 3 | 3 | 22 | 0 |
| NPC67978 | C21H23NO5 | Allocryptopine | 369.16 | -0.241 | 3.11 | 1.933 | 2 | 0 | 57.23 | 5 | 4 | 27 | 0 |
| NPC76107 | C20H21NO4 | 339.1470582 | -0.235 | 3.11 | 1.84 | 1 | 0 | 49.28 | 4 | 4 | 25 | 0 | |
| NPC96010 | C27H39NO3 | Jervine | 425.29 | -0.0124 | 3.99 | 1.88 | 4 | 2 | 58.56 | 5 | 6 | 31 | 0 |
| NPC96123 | C20H27NO11 | (2R)-2-phenyl-2-[(2R,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile | 457.1584107 | -4.0765 | 2.34 | -0.64 | 12 | 7 | 202.32 | 7 | 3 | 32 | 2 |
| NPC99659 | C21H25NO4 | Glaucine | 355.18 | 0.1875 | 3.22 | 2.237 | 1 | 0 | 40.16 | 9 | 4 | 26 | 0 |
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