18 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.
12 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC95838
Formula: C32H48O5
Ingredient ID: NPC95838
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CC(=O)O[C@@H]1O[C@H](C[C@H]1[C@H]1CC[C@]2([C@@]1(C)CC[C@@H]1C2=CC[C@H]2[C@@]1(C)CCC(=O)C2(C)C)C)[C@H]1OC1(C)C |
| Standard InCHI | InChI=1S/C32H48O5/c1-18(33)35-27-19(17-23(36-27)26-29(4,5)37-26)20-11-15-32(8)22-9-10-24-28(2,3)25(34)13-14-30(24,6)21(22)12-16-31(20,32)7/h9,19-21,23-24,26-27H,10-17H2,1-8H3/t19-,20+,21+,23+,24+,26+,27+,30-,31-,32+/m0/s1 |
| Standard InCHIKey | YIEYBMFKRXRFGE-MZFJINATSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD19012] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
 |
| Clematis flammula | Clematis | Ranunculaceae |
 |
| Hortia arborea | Hortia | Rutaceae |
Ingredient ID: NPC92381
Formula: C15H12O6
Ingredient ID: NPC92381
| Common Name | n.a. |
| IUPAC Name | 1,8-dihydroxy-3,5-dimethoxyxanthen-9-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1OC |
| Standard InCHI | InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-15-10(20-2)4-3-8(16)13(15)14(12)18/h3-6,16-17H,1-2H3 |
| Standard InCHIKey | GNSHHHWDGOHNPC-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5281660 ZINC ID: ZINC000006018122 |
| Plant-Ingredient Association Reference |
Database: TCMID [20486] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Swertia calycina | Swertia | Gentianaceae |
Ingredient ID: NPC91896
Formula: C20H21NO6
Ingredient ID: NPC91896
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c2O[C@@H](Cc2c(c2c1n(C)c1c(c2=O)cccc1O)O)C(O)(C)C |
| Standard InCHI | InChI=1S/C20H21NO6/c1-20(2,25)12-8-10-17(24)13-15(19(26-4)18(10)27-12)21(3)14-9(16(13)23)6-5-7-11(14)22/h5-7,12,22,24-25H,8H2,1-4H3/t12-/m0/s1 |
| Standard InCHIKey | QHLDPWBFSQRVLN-LBPRGKRZSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD166994] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Clematis flammula | Clematis | Ranunculaceae |
|
| Hortia arborea | Hortia | Rutaceae |
Ingredient ID: NPC76478
Formula: C17H17NO6
Ingredient ID: NPC76478
| Common Name | Citibrasine |
| IUPAC Name | 1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one |
| Canonical SMILES | COc1c(OC)c(OC)c2c(c1O)c(=O)c1c(n2C)c(O)ccc1 |
| Standard InCHI | InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3 |
| Standard InCHIKey | QYPQTPVQPNLXHV-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 19093029 ChEMBL ID: CHEMBL1668599 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD20605] Database: NPASS [NPC76478] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Clematis flammula | Clematis | Ranunculaceae |
|
| Hortia arborea | Hortia | Rutaceae |
Ingredient ID: NPC7560
Formula: C20H21NO5
Ingredient ID: NPC7560
| Common Name | Glycocitrine-Iv |
| IUPAC Name | 1,3,5-trihydroxy-4-methoxy-10-methyl-2-(3-methylbut-2-enyl)acridin-9-one |
| Canonical SMILES | COc1c(O)c(CC=C(C)C)c(c2c1n(C)c1c(c2=O)cccc1O)O |
| Standard InCHI | InChI=1S/C20H21NO5/c1-10(2)8-9-12-18(24)14-16(20(26-4)19(12)25)21(3)15-11(17(14)23)6-5-7-13(15)22/h5-8,22,24-25H,9H2,1-4H3 |
| Standard InCHIKey | GKBPFZFFEMNSRA-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 9998312 ChEMBL ID: CHEMBL463652 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD154791] Database: NPASS [NPC7560] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Clematis flammula | Clematis | Ranunculaceae |
|
| Hortia arborea | Hortia | Rutaceae |
Ingredient ID: NPC34283
Formula: C20H21NO6
Ingredient ID: NPC34283
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1c(O)c2C[C@@H](O)C(Oc2c2c1n(C)c1c(c2=O)cccc1O)(C)C |
| Standard InCHI | InChI=1S/C20H21NO6/c1-20(2)12(23)8-10-17(25)19(26-4)15-13(18(10)27-20)16(24)9-6-5-7-11(22)14(9)21(15)3/h5-7,12,22-23,25H,8H2,1-4H3/t12-/m1/s1 |
| Standard InCHIKey | QAUFACGSJSABOB-GFCCVEGCSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD185707] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Clematis flammula | Clematis | Ranunculaceae |
|
| Hortia arborea | Hortia | Rutaceae |
Ingredient ID: NPC305542
Formula: C19H17NO4
Ingredient ID: NPC305542
| Common Name | 5-Hydroxynoracronycine |
| IUPAC Name | 6,11-dihydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one |
| Canonical SMILES | Oc1cc2OC(C)(C)C=Cc2c2c1c(=O)c1c(n2C)c(O)ccc1 |
| Standard InCHI | InChI=1S/C19H17NO4/c1-19(2)8-7-10-14(24-19)9-13(22)15-17(10)20(3)16-11(18(15)23)5-4-6-12(16)21/h4-9,21-22H,1-3H3 |
| Standard InCHIKey | JZQDCDLYNFZBIG-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5378702 ChEMBL ID: CHEMBL447169 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD178887] Database: NPASS [NPC305542] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Citropsis articulata | Citropsis | Rutaceae |
|
| Clematis flammula | Clematis | Ranunculaceae |
|
| Hortia arborea | Hortia | Rutaceae |
Ingredient ID: NPC291899
Formula: C19H20O3
Ingredient ID: NPC291899
| Common Name | 6-(3,3-Dimethylallyl)Seselin |
| IUPAC Name | 8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-f]chromen-2-one |
| Canonical SMILES | CC(=CCc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2)C |
| Standard InCHI | InChI=1S/C19H20O3/c1-12(2)5-6-14-11-13-7-8-16(20)21-17(13)15-9-10-19(3,4)22-18(14)15/h5,7-11H,6H2,1-4H3 |
| Standard InCHIKey | AHNJHIHTDFTTJW-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 44556806 ChEMBL ID: CHEMBL3426665 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD165959] Database: NPASS [NPC291899] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Clematis flammula | Clematis | Ranunculaceae |
|
| murraya alata | Murraya | Rutaceae | |
| Hortia arborea | Hortia | Rutaceae |
Ingredient ID: NPC285254
Formula: C25H29NO5
Ingredient ID: NPC285254
| Common Name | 1,3,5-Trihydroxy-4-Methoxy-10-Methyl-2,8-Bis(3-Methylbut-2-Enyl)Acridin-9-One |
| IUPAC Name | 1,3,5-trihydroxy-4-methoxy-10-methyl-2,8-bis(3-methylbut-2-enyl)acridin-9-one |
| Canonical SMILES | COc1c(O)c(CC=C(C)C)c(c2c1n(C)c1c(c2=O)c(CC=C(C)C)ccc1O)O |
| Standard InCHI | InChI=1S/C25H29NO5/c1-13(2)7-9-15-10-12-17(27)20-18(15)24(30)19-21(26(20)5)25(31-6)23(29)16(22(19)28)11-8-14(3)4/h7-8,10,12,27-29H,9,11H2,1-6H3 |
| Standard InCHIKey | LICNIJQEAUQKSD-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 53316985 ChEMBL ID: CHEMBL1668597 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD169530] Database: NPASS [NPC285254] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Clematis flammula | Clematis | Ranunculaceae |
|
| Hortia arborea | Hortia | Rutaceae |
Ingredient ID: NPC284967
Formula: C19H19NO4
Ingredient ID: NPC284967
| Common Name | n.a. |
| IUPAC Name | 1,3,5-trihydroxy-10-methyl-2-(3-methylbut-2-enyl)acridin-9-one |
| Canonical SMILES | CC(=CCc1c(O)cc2c(c1O)c(=O)c1c(n2C)c(O)ccc1)C |
| Standard InCHI | InChI=1S/C19H19NO4/c1-10(2)7-8-11-15(22)9-13-16(18(11)23)19(24)12-5-4-6-14(21)17(12)20(13)3/h4-7,9,21-23H,8H2,1-3H3 |
| Standard InCHIKey | YDKCXKMKJZNVHQ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 15286413 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD104125] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Strophanthus eminii | Strophanthus | Apocynaceae |
|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Moringa oleifera | Moringa | Moringaceae |
 |
| Stevia alpina | Stevia | Asteraceae | |
| Pluchea dioscoridis | Pluchea | Asteraceae |
|
| Pyrola rotundifolia | Pyrola | Ericaceae |
|
| Clematis flammula | Clematis | Ranunculaceae |
|
| Asterolasia squamuligera | Asterolasia | Rutaceae | |
| Hortia arborea | Hortia | Rutaceae | |
| Cinnamomum tenuifolium | Cinnamomum | Lauraceae |
|
| Catharanthus roseus | Catharanthus | Apocynaceae |
|
| Citrus junos | Citrus | Rutaceae |
 |
Ingredient ID: NPC199100
Formula: C14H10O6
Ingredient ID: NPC199100
| Common Name | Bellidifolin |
| IUPAC Name | 1,5,8-trihydroxy-3-methoxyxanthen-9-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O |
| Standard InCHI | InChI=1S/C14H10O6/c1-19-6-4-9(17)11-10(5-6)20-14-8(16)3-2-7(15)12(14)13(11)18/h2-5,15-17H,1H3 |
| Standard InCHIKey | JDIORNFCMMYMLF-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5281623 ZINC ID: ZINC000005732370 ChEMBL ID: CHEMBL185776 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC199100] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Swertia pseudochinensis | Swertia | Gentianaceae |
|
| Gentiana kochiana | Gentiana | Gentianaceae |
|
| Swertia japonica | Swertia | Gentianaceae |
|
Ingredient ID: NPC173350
Formula: C15H14O4
Ingredient ID: NPC173350
| Common Name | 5-Methoxyseselin |
| IUPAC Name | 5-methoxy-8,8-dimethylpyrano[2,3-f]chromen-2-one |
| Canonical SMILES | COc1cc2OC(C)(C)C=Cc2c2c1ccc(=O)o2 |
| Standard InCHI | InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11(17-3)9-4-5-13(16)18-14(9)10/h4-8H,1-3H3 |
| Standard InCHIKey | ZNMRQYJUVCXNGK-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 290897 ZINC ID: ZINC000001569924 ChEMBL ID: CHEMBL479894 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC173350] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Citrus hassaku | Citrus | Rutaceae | |
| Plumbago zeylanica | Plumbago | Plumbaginaceae |
|
| Uncaria perrottetii | Uncaria | Rubiaceae |
|
| Citrus tamurana | Citrus | Rutaceae | |
| Anagallis arvensis | Anagallis | Primulaceae |
|
| Clematis flammula | Clematis | Ranunculaceae |
|
| Citrus grandis | Citrus | Rutaceae |
|
| murraya alata | Murraya | Rutaceae | |
| Hortia arborea | Hortia | Rutaceae | |
| Toddalia asiatica | Toddalia | Rutaceae |
|
Ingredient ID: NPC170333
Formula: C19H19NO4
Ingredient ID: NPC170333
| Common Name | Glycocitrine-I |
| IUPAC Name | 1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one |
| Canonical SMILES | CC(=CCc1c(O)cc(c2c1n(C)c1c(O)cccc1c2=O)O)C |
| Standard InCHI | InChI=1S/C19H19NO4/c1-10(2)7-8-11-14(22)9-15(23)16-18(11)20(3)17-12(19(16)24)5-4-6-13(17)21/h4-7,9,21-23H,8H2,1-3H3 |
| Standard InCHIKey | OPPJKACRWCPJGU-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 11580650 ZINC ID: ZINC000014819123 ChEMBL ID: CHEMBL1668598 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC170333] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Clematis flammula | Clematis | Ranunculaceae |
|
| Hortia arborea | Hortia | Rutaceae |
Ingredient ID: NPC162656
Formula: C16H22O9
Ingredient ID: NPC162656
| Common Name | n.a. |
| IUPAC Name | (3R,4S,4aR)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one |
| Canonical SMILES | C=C[C@@H]1[C@H](OC=C2[C@@H]1CCOC2=O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10+,11+,12-,13+,15+,16-/m0/s1 |
| Standard InCHIKey | VSJGJMKGNMDJCI-JCHAVLMJSA-N |
| Ingredient External Links |
PubChem CID: 9906781 ZINC ID: ZINC000033833868 |
| Plant-Ingredient Association Reference |
Database: TCMID [20487] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Ophiorrhiza liukiuensis | Ophiorrhiza | Rubiaceae |
|
| Gentiana scabra | Gentiana | Gentianaceae |
|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Cornus officinalis | Cornus | Cornaceae |
|
| Swertia pseudochinensis | Swertia | Gentianaceae |
|
| Swertia franchetiana | Swertia | Gentianaceae |
|
| Lonicera japonica | Lonicera | Caprifoliaceae |
|
| Hemerocallis fulva | Hemerocallis | Xanthorrhoeaceae |
|
| Swertia chinensis | Swertia | Gentianaceae |
|
| Swertia leducii | Swertia | Gentianaceae | |
| Swertia calycina | Swertia | Gentianaceae | |
| Swertia angustifolia | Swertia | Gentianaceae |
|
| Gentiana dahurica | Gentiana | Gentianaceae |
|
| Sinoadina racemosa | Sinoadina | Rubiaceae |
|
| Gentiana crassicaulis | Gentiana | Gentianaceae |
|
| Catharanthus roseus | Catharanthus | Apocynaceae |
|
Ingredient ID: NPC148391
Formula: C16H15NO5
Ingredient ID: NPC148391
| Common Name | Citrusinine-I |
| IUPAC Name | 1,5-dihydroxy-3,4-dimethoxy-10-methylacridin-9-one |
| Canonical SMILES | COc1c(OC)cc(c2c1n(C)c1c(c2=O)cccc1O)O |
| Standard InCHI | InChI=1S/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3 |
| Standard InCHIKey | UTEAJHNFBCLZHN-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5487772 ChEMBL ID: CHEMBL451705 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD41595] Database: NPASS [NPC148391] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Clematis flammula | Clematis | Ranunculaceae |
|
| Hortia arborea | Hortia | Rutaceae |
Ingredient ID: NPC133156
Formula: C24H27NO4
Ingredient ID: NPC133156
| Common Name | 1,3,5-Trihydroxy-2,8-Bis(3-Methylbut-2-Enyl)-10-Methyl-9-Acridone |
| IUPAC Name | 1,3,5-trihydroxy-10-methyl-2,8-bis(3-methylbut-2-enyl)acridin-9-one |
| Canonical SMILES | CC(=CCc1c(O)cc2c(c1O)c(=O)c1c(n2C)c(O)ccc1CC=C(C)C)C |
| Standard InCHI | InChI=1S/C24H27NO4/c1-13(2)6-8-15-9-11-18(26)22-20(15)24(29)21-17(25(22)5)12-19(27)16(23(21)28)10-7-14(3)4/h6-7,9,11-12,26-28H,8,10H2,1-5H3 |
| Standard InCHIKey | DYCRIHPNHAPQTH-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 10385901 ChEMBL ID: CHEMBL464846 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD1273] Database: NPASS [NPC133156] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Clematis flammula | Clematis | Ranunculaceae |
|
| Hortia arborea | Hortia | Rutaceae |
Ingredient ID: NPC13249
Formula: C20H19NO5
Ingredient ID: NPC13249
| Common Name | Pyranofoline |
| IUPAC Name | 5,10-dihydroxy-12-methoxy-2,2,11-trimethylpyrano[3,2-b]acridin-6-one |
| Canonical SMILES | COc1c2OC(C)(C)C=Cc2c(c2c1n(C)c1c(c2=O)cccc1O)O |
| Standard InCHI | InChI=1S/C20H19NO5/c1-20(2)9-8-11-17(24)13-15(19(25-4)18(11)26-20)21(3)14-10(16(13)23)6-5-7-12(14)22/h5-9,22,24H,1-4H3 |
| Standard InCHIKey | CTPJHHASTKGQAW-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 9798626 ChEMBL ID: CHEMBL1668600 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD155263] Database: NPASS [NPC13249] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Clematis flammula | Clematis | Ranunculaceae |
|
| Hortia arborea | Hortia | Rutaceae |
Ingredient ID: NPC13007
Formula: C14H12O3
Ingredient ID: NPC13007
| Common Name | Sesalin |
| IUPAC Name | 8,8-dimethylpyrano[2,3-f]chromen-2-one |
| Canonical SMILES | CC1(C)C=Cc2c(O1)ccc1c2oc(=O)cc1 |
| Standard InCHI | InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3 |
| Standard InCHIKey | QUVCQYQEIOLHFZ-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 68229 ZINC ID: ZINC000000265504 ChEMBL ID: CHEMBL71358 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC13007] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Strophanthus eminii | Strophanthus | Apocynaceae |
|
| Gentiana lactea | Gentiana | Gentianaceae |
|
| Moringa oleifera | Moringa | Moringaceae |
|
| Stevia alpina | Stevia | Asteraceae | |
| Angelica gigas | Angelica | Apiaceae |
|
| Citrus hassaku | Citrus | Rutaceae | |
| Aphelandra chamissoniana | Aphelandra | Acanthaceae | |
| Bryopsis pennata | Bryopsis | Bryopsidaceae | |
| Pseudotsuga japonica | Pseudotsuga | Pinaceae | |
| Plumbago zeylanica | Plumbago | Plumbaginaceae |
|
| Angelica sinensis | Angelica | Apiaceae |
|
| Pluchea dioscoridis | Pluchea | Asteraceae |
|
| Strychnos henningsii | Strychnos | Loganiaceae |
|
| Aconitum tanguticum | Aconitum | Ranunculaceae |
|
| Citropsis articulata | Citropsis | Rutaceae |
|
| Acanthophyllum sordidum | Acanthophyllum | Caryophyllaceae | |
| Vernonia scorpioides | Vernonia | Asteraceae | |
| Rauvolfia verticillata | Rauvolfia | Apocynaceae |
|
| Polyalthia stenopetala | Polyalthia | Annonaceae | |
| Roemeria refracta | Roemeria | Papaveraceae | |
| Bougainvillea glabra | Bougainvillea | Nyctaginaceae |
|
| Citrus trifoliata | Citrus | Rutaceae |
|
| Pyrola rotundifolia | Pyrola | Ericaceae |
|
| Citrus rugulosa | Citrus | Rutaceae | |
| Panax spinosus | Panax | Araliaceae | |
| Apium graveolens | Apium | Apiaceae |
|
| Aconitum habaense | Aconitum | Ranunculaceae | |
| Clematis flammula | Clematis | Ranunculaceae |
|
| Foeniculum vulgare | Foeniculum | Apiaceae |
|
| Angelica acutiloba | Angelica | Apiaceae |
|
| Strophanthus hispidus | Strophanthus | Apocynaceae |
|
| Asterolasia squamuligera | Asterolasia | Rutaceae | |
| Citrus natsudaidai | Citrus | Rutaceae |
|
| Hortia arborea | Hortia | Rutaceae | |
| Cinnamomum tenuifolium | Cinnamomum | Lauraceae |
|
| Catharanthus roseus | Catharanthus | Apocynaceae |
|
| Citrus aurantium | Citrus | Rutaceae |
|
| Citrus junos | Citrus | Rutaceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC13007 | C14H12O3 | Sesalin | 228.08 | 1.1778 | 2.67 | 2.932 | 1 | 0 | 35.53 | 2 | 3 | 17 | 0 |
| NPC13249 | C20H19NO5 | Pyranofoline | 353.13 | -0.2129 | 3 | 1.613 | 2 | 2 | 79.23 | 7 | 4 | 26 | 0 |
| NPC133156 | C24H27NO4 | 1,3,5-Trihydroxy-2,8-Bis(3-Methylbut-2-Enyl)-10-Methyl-9-Acridone | 393.19 | 2.2256 | 3.55 | 3.808 | 2 | 3 | 81 | 12 | 3 | 29 | 0 |
| NPC148391 | C16H15NO5 | Citrusinine-I | 301.1 | -1.1725 | 2.56 | 0.732 | 2 | 2 | 79.23 | 7 | 3 | 22 | 0 |
| NPC162656 | C16H22O9 | (3R,4S,4aR)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one | 358.1263823 | -2.4783 | 2.23 | -0.453 | 9 | 4 | 134.91 | 4 | 3 | 25 | 0 |
| NPC170333 | C19H19NO4 | Glycocitrine-I | 325.13 | 0.3482 | 3 | 2.127 | 2 | 3 | 81 | 8 | 3 | 24 | 0 |
| NPC173350 | C15H14O4 | 5-Methoxyseselin | 258.09 | 1.126 | 2.67 | 2.488 | 1 | 0 | 44.76 | 4 | 3 | 19 | 0 |
| NPC199100 | C14H10O6 | Bellidifolin | 274.05 | -1.8506 | 2.34 | 0.17 | 1 | 3 | 96.22 | 5 | 3 | 20 | 0 |
| NPC284967 | C19H19NO4 | 1,3,5-trihydroxy-10-methyl-2-(3-methylbut-2-enyl)acridin-9-one | 325.1314081 | 0.3482 | 3 | 2.127 | 2 | 3 | 81 | 2 | 3 | 24 | 0 |
| NPC285254 | C25H29NO5 | 1,3,5-Trihydroxy-4-Methoxy-10-Methyl-2,8-Bis(3-Methylbut-2-Enyl)Acridin-9-One | 423.2 | 2.1738 | 3.55 | 3.364 | 2 | 3 | 90.23 | 14 | 3 | 31 | 0 |
| NPC291899 | C19H20O3 | 6-(3,3-Dimethylallyl)Seselin | 296.14 | 3.0552 | 3.22 | 4.402 | 1 | 0 | 35.53 | 6 | 3 | 22 | 0 |
| NPC305542 | C19H17NO4 | 5-Hydroxynoracronycine | 323.12 | -0.1611 | 3 | 2.057 | 2 | 2 | 70 | 5 | 4 | 24 | 0 |
| NPC34283 | C20H21NO6 | 371.1368874 | -1.129 | 2.89 | 0.774 | 3 | 3 | 99.46 | 1 | 4 | 27 | 0 | |
| NPC7560 | C20H21NO5 | Glycocitrine-Iv | 355.14 | 0.2964 | 3 | 1.683 | 2 | 3 | 90.23 | 10 | 3 | 26 | 0 |
| NPC76478 | C17H17NO6 | Citibrasine | 331.11 | -1.2243 | 2.56 | 0.288 | 2 | 2 | 88.46 | 9 | 3 | 24 | 0 |
| NPC91896 | C20H21NO6 | 371.1368874 | -1.129 | 2.89 | 0.774 | 3 | 3 | 99.46 | 2 | 4 | 27 | 0 | |
| NPC92381 | C15H12O6 | 1,8-dihydroxy-3,5-dimethoxyxanthen-9-one | 288.0633881 | -1.4421 | 2.45 | 0.689 | 1 | 2 | 85.22 | 2 | 3 | 21 | 0 |
| NPC95838 | C32H48O5 | 512.3501746 | 2.4243 | 4.43 | 7.445 | 5 | 0 | 65.13 | 4 | 6 | 37 | 1 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
