41 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.
15 Ingredients with Available Activity
Unique ingredients have activity data available.
Ingredient Structrual Cards
Ingredient ID: NPC98929
Formula: C24H24O7
Ingredient ID: NPC98929
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CO[C@]12[C@@H](COc3c1cc(OC)c(c3)OC)Oc1c(C2=O)ccc2c1C[C@@H](O2)C(=C)C |
| Standard InCHI | InChI=1S/C24H24O7/c1-12(2)17-8-14-16(30-17)7-6-13-22(14)31-21-11-29-18-10-20(27-4)19(26-3)9-15(18)24(21,28-5)23(13)25/h6-7,9-10,17,21H,1,8,11H2,2-5H3/t17-,21-,24+/m1/s1 |
| Standard InCHIKey | KHDBBFYQRTYKSB-JKHABCDFSA-N |
| Ingredient External Links |
PubChem CID: 100970021 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD50330] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
 |
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC9556
Formula: C23H24O9
Ingredient ID: NPC9556
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@@H]1[C@@]2(O)C(=O)c2c(O1)c1c(cc2)OC([C@H]([C@H]1O)O)(C)C |
| Standard InCHI | InChI=1S/C23H24O9/c1-22(2)21(26)18(24)17-12(32-22)6-5-10-19(17)31-16-9-30-13-8-15(29-4)14(28-3)7-11(13)23(16,27)20(10)25/h5-8,16,18,21,24,26-27H,9H2,1-4H3/t16-,18+,21+,23-/m1/s1 |
| Standard InCHIKey | XMGJLGOKKNELQY-FKVPHHQGSA-N |
| Ingredient External Links |
PubChem CID: 10789429 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD179190] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC8965
Formula: C23H22O7
Ingredient ID: NPC8965
| Common Name | Tephrosin |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@@H]1[C@@]2(O)C(=O)c2c(O1)c1C=CC(Oc1cc2)(C)C |
| Standard InCHI | InChI=1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1 |
| Standard InCHIKey | AQBZCCQCDWNNJQ-AUSIDOKSSA-N |
| Ingredient External Links |
PubChem CID: 114909 ZINC ID: ZINC000004098748 ChEMBL ID: CHEMBL241806 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC8965] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Patrinia scabra | Patrinia | Caprifoliaceae |
|
| Amorpha fruticosa | Amorpha | Fabaceae |
 |
| Indigofera spicata | Indigofera | Fabaceae |
|
| Erycibe expansa | Erycibe | Convolvulaceae |
|
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| derris malaccensis plain | Derris | Fabaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC74559
Formula: C23H24O9
Ingredient ID: NPC74559
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@@H]1[C@@]2(O)C(=O)c2c(O1)c1c(cc2)OC([C@@H]([C@H]1O)O)(C)C |
| Standard InCHI | InChI=1S/C23H24O9/c1-22(2)21(26)18(24)17-12(32-22)6-5-10-19(17)31-16-9-30-13-8-15(29-4)14(28-3)7-11(13)23(16,27)20(10)25/h5-8,16,18,21,24,26-27H,9H2,1-4H3/t16-,18+,21-,23-/m1/s1 |
| Standard InCHIKey | XMGJLGOKKNELQY-QBXAIUQQSA-N |
| Ingredient External Links |
PubChem CID: 10049103 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD172904] Database: NPASS [NPC74559] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| derris malaccensis plain | Derris | Fabaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC71498
Formula: C23H24O9
Ingredient ID: NPC71498
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@]1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@H]1[C@](C3=O)(O)c2cc(OC)c(cc2OC1)OC |
| Standard InCHI | InChI=1S/C23H24O9/c1-22(10-24)18(25)6-12-14(32-22)5-4-11-20(12)31-19-9-30-15-8-17(29-3)16(28-2)7-13(15)23(19,27)21(11)26/h4-5,7-8,18-19,24-25,27H,6,9-10H2,1-3H3/t18-,19+,22-,23+/m0/s1 |
| Standard InCHIKey | KIEXBEYVKJHRFX-JFSTXAPLSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD36082] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC69389
Formula: C24H24O7
Ingredient ID: NPC69389
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CO[C@@]12[C@@H](COc3c1cc(OC)c(c3)OC)Oc1c(C2=O)ccc2c1C=CC(O2)(C)C |
| Standard InCHI | InChI=1S/C24H24O7/c1-23(2)9-8-13-16(31-23)7-6-14-21(13)30-20-12-29-17-11-19(27-4)18(26-3)10-15(17)24(20,28-5)22(14)25/h6-11,20H,12H2,1-5H3/t20-,24-/m1/s1 |
| Standard InCHIKey | ASZODYHAJFTQPK-HYBUGGRVSA-N |
| Ingredient External Links |
PubChem CID: 100970022 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD164630] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC40037
Formula: C23H20O7
Ingredient ID: NPC40037
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2OCc3c(c2cc1OC)c(=O)c1c(o3)c2C=CC(Oc2cc1O)(C)C |
| Standard InCHI | InChI=1S/C23H20O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,24H,10H2,1-4H3 |
| Standard InCHIKey | HDDUSYQWBVKRGV-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5491616 ZINC ID: ZINC000013864652 ChEMBL ID: CHEMBL122787 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC40037] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC38315
Formula: C24H24O7
Ingredient ID: NPC38315
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CO[C@]12[C@@H](COc3c1cc(OC)c(c3)OC)Oc1c(C2=O)ccc2c1C=CC(O2)(C)C |
| Standard InCHI | InChI=1S/C24H24O7/c1-23(2)9-8-13-16(31-23)7-6-14-21(13)30-20-12-29-17-11-19(27-4)18(26-3)10-15(17)24(20,28-5)22(14)25/h6-11,20H,12H2,1-5H3/t20-,24+/m1/s1 |
| Standard InCHIKey | ASZODYHAJFTQPK-YKSBVNFPSA-N |
| Ingredient External Links |
PubChem CID: 100970023 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD107347] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC36661
Formula: C21H22O4
Ingredient ID: NPC36661
| Common Name | 2-Methoxy-4-[(E)-2-(5-Methoxy-2,2-Dimethylchromen-7-Yl)Ethenyl]Phenol |
| IUPAC Name | 2-methoxy-4-[(E)-2-(5-methoxy-2,2-dimethylchromen-7-yl)ethenyl]phenol |
| Canonical SMILES | COc1cc(/C=C/c2ccc(c(c2)OC)O)cc2c1C=CC(O2)(C)C |
| Standard InCHI | InChI=1S/C21H22O4/c1-21(2)10-9-16-18(23-3)12-15(13-19(16)25-21)6-5-14-7-8-17(22)20(11-14)24-4/h5-13,22H,1-4H3/b6-5+ |
| Standard InCHIKey | AVURBDQHFAMVEO-AATRIKPKSA-N |
| Ingredient External Links |
PubChem CID: 10520980 ChEMBL ID: CHEMBL463598 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD189883] Database: NPASS [NPC36661] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC306626
Formula: C23H24O6
Ingredient ID: NPC306626
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc(OC)c(cc1[C@H]1COc2c(C1=O)ccc1c2C=CC(O1)(C)C)OC |
| Standard InCHI | InChI=1S/C23H24O6/c1-23(2)9-8-13-17(29-23)7-6-14-21(24)16(12-28-22(13)14)15-10-19(26-4)20(27-5)11-18(15)25-3/h6-11,16H,12H2,1-5H3/t16-/m1/s1 |
| Standard InCHIKey | FHQIUPHJETXRLG-MRXNPFEDSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD103679] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC298093
Formula: C23H22O6
Ingredient ID: NPC298093
| Common Name | Rotenone |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C |
| Standard InCHI | InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1 |
| Standard InCHIKey | JUVIOZPCNVVQFO-HBGVWJBISA-N |
| Ingredient External Links |
PubChem CID: 6758 ChEMBL ID: CHEMBL429023 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD43405] Database: NPASS [NPC298093] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Crotalaria paniculata | Crotalaria | Fabaceae |
|
| Cordia americana | Cordia | Cordiaceae | |
| Patrinia scabra | Patrinia | Caprifoliaceae |
|
| Indigofera spicata | Indigofera | Fabaceae |
|
| Neorautanenia mitis | Neorautanenia | Fabaceae |
|
| Erycibe expansa | Erycibe | Convolvulaceae |
|
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Isodon rubescens | Isodon | Lamiaceae | |
| derris malaccensis plain | Derris | Fabaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Allium macrostemon | Allium | Amaryllidaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
| Spiraea japonica | Spiraea | Rosaceae |
|
| Geijera parviflora | Geijera | Rutaceae |
Ingredient ID: NPC284820
Formula: C27H30O6
Ingredient ID: NPC284820
| Common Name | (2S)-6-(Gamma,Gamma-Dimethylallyl)-5-Hydroxy-3',4'-Dimethoxy-6'',6''-Dimethylpyran[2'',3'':7,8]Flavanone |
| IUPAC Name | (2S)-2-(3,4-dimethoxyphenyl)-5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one |
| Canonical SMILES | COc1cc(ccc1OC)[C@@H]1CC(=O)c2c(O1)c1C=CC(Oc1c(c2O)CC=C(C)C)(C)C |
| Standard InCHI | InChI=1S/C27H30O6/c1-15(2)7-9-17-24(29)23-19(28)14-21(16-8-10-20(30-5)22(13-16)31-6)32-26(23)18-11-12-27(3,4)33-25(17)18/h7-8,10-13,21,29H,9,14H2,1-6H3/t21-/m0/s1 |
| Standard InCHIKey | FUBFEZXQVKEAMQ-NRFANRHFSA-N |
| Ingredient External Links |
PubChem CID: 44559036 ChEMBL ID: CHEMBL455606 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD39031] Database: NPASS [NPC284820] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Lonchocarpus urucu | Lonchocarpus | Fabaceae | |
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC274810
Formula: C23H24O7
Ingredient ID: NPC274810
| Common Name | n.a. |
| IUPAC Name | (6aR,12aR)-9,12a-dihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@@H]1[C@@]2(O)C(=O)c2c(O1)c(CC=C(C)C)c(cc2)O |
| Standard InCHI | InChI=1S/C23H24O7/c1-12(2)5-6-13-16(24)8-7-14-21(13)30-20-11-29-17-10-19(28-4)18(27-3)9-15(17)23(20,26)22(14)25/h5,7-10,20,24,26H,6,11H2,1-4H3/t20-,23-/m1/s1 |
| Standard InCHIKey | GHBZHAWROFXWAR-NFBKMPQASA-N |
| Ingredient External Links |
PubChem CID: 51136534 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD94870] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC270030
Formula: C20H20O3
Ingredient ID: NPC270030
| Common Name | 4-[(E)-2-(5-Methoxy-2,2-Dimethylchromen-7-Yl)Ethenyl]Phenol |
| IUPAC Name | 4-[(E)-2-(5-methoxy-2,2-dimethylchromen-7-yl)ethenyl]phenol |
| Canonical SMILES | COc1cc(/C=C/c2ccc(cc2)O)cc2c1C=CC(O2)(C)C |
| Standard InCHI | InChI=1S/C20H20O3/c1-20(2)11-10-17-18(22-3)12-15(13-19(17)23-20)5-4-14-6-8-16(21)9-7-14/h4-13,21H,1-3H3/b5-4+ |
| Standard InCHIKey | FQMHTDGEFUNXNZ-SNAWJCMRSA-N |
| Ingredient External Links |
PubChem CID: 10542828 ChEMBL ID: CHEMBL463404 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD39854] Database: NPASS [NPC270030] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC268183
Formula: C23H23ClO7
Ingredient ID: NPC268183
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | ClC[C@]1(C)Oc2ccc3c(c2C[C@@H]1O)O[C@H]1[C@@H](C3=O)c2cc(OC)c(cc2OC1)OC |
| Standard InCHI | InChI=1S/C23H23ClO7/c1-23(10-24)19(25)7-13-14(31-23)5-4-11-21(26)20-12-6-16(27-2)17(28-3)8-15(12)29-9-18(20)30-22(11)13/h4-6,8,18-20,25H,7,9-10H2,1-3H3/t18-,19+,20+,23+/m1/s1 |
| Standard InCHIKey | NNJJOCIRDTYCJY-NVJIOZQYSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD139930] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC267413
Formula: C23H18O7
Ingredient ID: NPC267413
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)oc(=O)c1c2c(=O)c2c(o1)c1C[C@@H](Oc1cc2)C(=C)C |
| Standard InCHI | InChI=1S/C23H18O7/c1-10(2)15-8-13-14(28-15)6-5-11-20(24)19-12-7-17(26-3)18(27-4)9-16(12)29-23(25)22(19)30-21(11)13/h5-7,9,15H,1,8H2,2-4H3/t15-/m1/s1 |
| Standard InCHIKey | CWZIPBGXMLRVIC-OAHLLOKOSA-N |
| Ingredient External Links |
PubChem CID: 442819 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD163322] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC267212
Formula: C23H26O8
Ingredient ID: NPC267212
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc(OC)c(cc1[C@@H]1COc2c(C1=O)ccc1c2[C@@H](O)[C@@H](C(O1)(C)C)O)OC |
| Standard InCHI | InChI=1S/C23H26O8/c1-23(2)22(26)20(25)18-14(31-23)7-6-11-19(24)13(10-30-21(11)18)12-8-16(28-4)17(29-5)9-15(12)27-3/h6-9,13,20,22,25-26H,10H2,1-5H3/t13-,20+,22-/m0/s1 |
| Standard InCHIKey | UEXMDRWEQGYGLV-NJDIQBRYSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD139372] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC266576
Formula: C23H22O7
Ingredient ID: NPC266576
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@@H]1[C@]2(O)C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C |
| Standard InCHI | InChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23+/m1/s1 |
| Standard InCHIKey | JFVKWCYZKMUTLH-LQNXUBFPSA-N |
| Ingredient External Links |
PubChem CID: 99189 ZINC ID: ZINC000005158428 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC25281
Formula: C23H20O7
Ingredient ID: NPC25281
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2Oc3c(COc2cc1OC)oc1c(c3=O)ccc2c1C[C@@H](O2)C(=C)C |
| Standard InCHI | InChI=1S/C23H20O7/c1-11(2)15-7-13-14(28-15)6-5-12-21(24)23-20(30-22(12)13)10-27-18-8-16(25-3)17(26-4)9-19(18)29-23/h5-6,8-9,15H,1,7,10H2,2-4H3/t15-/m1/s1 |
| Standard InCHIKey | OWIGAXHPCXOLFN-OAHLLOKOSA-N |
| Ingredient External Links |
PubChem CID: 10501591 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD138546] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC249626
Formula: C23H22O7
Ingredient ID: NPC249626
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@@H]1[C@]2(O)C(=O)c2c(O1)c1C=CC(Oc1cc2)(C)C |
| Standard InCHI | InChI=1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23+/m1/s1 |
| Standard InCHIKey | AQBZCCQCDWNNJQ-XXBNENTESA-N |
| Ingredient External Links |
PubChem CID: 11962145 ZINC ID: ZINC000006394169 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Helenium amarum | Helenium | Asteraceae |
|
| Helenium autumnale | Helenium | Asteraceae |
 |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC248299
Formula: C23H20O7
Ingredient ID: NPC248299
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2Oc3c(COc2cc1OC)oc1c(c3=O)ccc2c1C=CC(O2)(C)C |
| Standard InCHI | InChI=1S/C23H20O7/c1-23(2)8-7-12-14(30-23)6-5-13-20(24)22-19(29-21(12)13)11-27-17-9-15(25-3)16(26-4)10-18(17)28-22/h5-10H,11H2,1-4H3 |
| Standard InCHIKey | CKHVKQDEOBZNIX-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 10092854 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD126707] Database: NPASS [NPC248299] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| derris malaccensis plain | Derris | Fabaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC244364
Formula: C22H24O4
Ingredient ID: NPC244364
| Common Name | 3,4,5-Trimethoxy-6'',6''-Dimethylpyran[2'',3'':3',4']Stilbene |
| IUPAC Name | 2,2-dimethyl-7-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromene |
| Canonical SMILES | COc1cc(/C=C/c2ccc3c(c2)OC(C=C3)(C)C)cc(c1OC)OC |
| Standard InCHI | InChI=1S/C22H24O4/c1-22(2)11-10-17-9-8-15(12-18(17)26-22)6-7-16-13-19(23-3)21(25-5)20(14-16)24-4/h6-14H,1-5H3/b7-6+ |
| Standard InCHIKey | WPVCFJCNTJKNBK-VOTSOKGWSA-N |
| Ingredient External Links |
PubChem CID: 10689330 ChEMBL ID: CHEMBL463011 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD148430] Database: NPASS [NPC244364] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC234255
Formula: C21H20O5
Ingredient ID: NPC234255
| Common Name | 3-Methoxy-4-Hydroxylonchocarpin |
| IUPAC Name | (E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one |
| Canonical SMILES | COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(O3)(C)C)ccc1O |
| Standard InCHI | InChI=1S/C21H20O5/c1-21(2)11-10-15-18(26-21)9-6-14(20(15)24)16(22)7-4-13-5-8-17(23)19(12-13)25-3/h4-12,23-24H,1-3H3/b7-4+ |
| Standard InCHIKey | WNUBZQVPFKTBOZ-QPJJXVBHSA-N |
| Ingredient External Links |
PubChem CID: 10712965 ChEMBL ID: CHEMBL463206 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD63416] Database: NPASS [NPC234255] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC222837
Formula: C23H24O9
Ingredient ID: NPC222837
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@@H]1[C@@]2(O)C(=O)c2c(O1)c1c(cc2)OC([C@H]([C@@H]1O)O)(C)C |
| Standard InCHI | InChI=1S/C23H24O9/c1-22(2)21(26)18(24)17-12(32-22)6-5-10-19(17)31-16-9-30-13-8-15(29-4)14(28-3)7-11(13)23(16,27)20(10)25/h5-8,16,18,21,24,26-27H,9H2,1-4H3/t16-,18-,21+,23-/m1/s1 |
| Standard InCHIKey | XMGJLGOKKNELQY-ANNUPHGVSA-N |
| Ingredient External Links |
PubChem CID: 11797541 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD148725] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC222558
Formula: C24H24O7
Ingredient ID: NPC222558
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CO[C@@]12[C@@H](COc3c1cc(OC)c(c3)OC)Oc1c(C2=O)ccc2c1C[C@@H](O2)C(=C)C |
| Standard InCHI | InChI=1S/C24H24O7/c1-12(2)17-8-14-16(30-17)7-6-13-22(14)31-21-11-29-18-10-20(27-4)19(26-3)9-15(18)24(21,28-5)23(13)25/h6-7,9-10,17,21H,1,8,11H2,2-5H3/t17-,21-,24-/m1/s1 |
| Standard InCHIKey | KHDBBFYQRTYKSB-NYQDVAGCSA-N |
| Ingredient External Links |
PubChem CID: 100970024 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD20573] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC22117
Formula: C23H18O7
Ingredient ID: NPC22117
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)oc(=O)c1c2c(=O)c2c(o1)c1C=CC(Oc1cc2)(C)C |
| Standard InCHI | InChI=1S/C23H18O7/c1-23(2)8-7-11-14(30-23)6-5-12-19(24)18-13-9-16(26-3)17(27-4)10-15(13)28-22(25)21(18)29-20(11)12/h5-10H,1-4H3 |
| Standard InCHIKey | NWWVDLRRSGQBKO-UHFFFAOYSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD19728] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Geum japonicum | Geum | Rosaceae |
|
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC207703
Formula: C23H22O9
Ingredient ID: NPC207703
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2Oc3c(COc2cc1OC)oc1c(c3=O)ccc2c1[C@H](O)[C@@H](C(O2)(C)C)O |
| Standard InCHI | InChI=1S/C23H22O9/c1-23(2)22(26)19(25)17-11(32-23)6-5-10-18(24)21-16(31-20(10)17)9-29-14-7-12(27-3)13(28-4)8-15(14)30-21/h5-8,19,22,25-26H,9H2,1-4H3/t19-,22-/m0/s1 |
| Standard InCHIKey | XVIAGVPVBYPUQJ-UGKGYDQZSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD182893] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC192686
Formula: C26H28O6
Ingredient ID: NPC192686
| Common Name | (2S)-6-(Gamma,Gamma-Dimethylallyl)-5-3'-Dihydroxy-4'-Methoxy-6'',6''dimethylpyran[2'',3''7,8]Flavanone |
| IUPAC Name | (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one |
| Canonical SMILES | COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)c1C=CC(Oc1c(c2O)CC=C(C)C)(C)C |
| Standard InCHI | InChI=1S/C26H28O6/c1-14(2)6-8-16-23(29)22-19(28)13-21(15-7-9-20(30-5)18(27)12-15)31-25(22)17-10-11-26(3,4)32-24(16)17/h6-7,9-12,21,27,29H,8,13H2,1-5H3/t21-/m0/s1 |
| Standard InCHIKey | RGXSRPKLOMKRQU-NRFANRHFSA-N |
| Ingredient External Links |
PubChem CID: 44559037 ChEMBL ID: CHEMBL451703 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD152508] Database: NPASS [NPC192686] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Lonchocarpus urucu | Lonchocarpus | Fabaceae | |
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC19097
Formula: C23H20O6
Ingredient ID: NPC19097
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OCc1c2c(=O)c2c(o1)c1C[C@@H](Oc1cc2)C(=C)C |
| Standard InCHI | InChI=1S/C23H20O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16H,1,8,10H2,2-4H3/t16-/m1/s1 |
| Standard InCHIKey | GFERNZCCTZEIET-MRXNPFEDSA-N |
| Ingredient External Links |
PubChem CID: 99190 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD173558] Database: NPASS [NPC19097] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| derris malaccensis plain | Derris | Fabaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC180340
Formula: C23H20O6
Ingredient ID: NPC180340
| Common Name | Dehydrodeguelin |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OCc1c2c(=O)c2c(o1)c1C=CC(Oc1cc2)(C)C |
| Standard InCHI | InChI=1S/C23H20O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10H,11H2,1-4H3 |
| Standard InCHIKey | NGQVFILFHVPLFE-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 3083803 ZINC ID: ZINC000013434200 ChEMBL ID: CHEMBL465673 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC180340] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Crotalaria paniculata | Crotalaria | Fabaceae |
|
| Cordia americana | Cordia | Cordiaceae | |
| Curcuma longa | Curcuma | Zingiberaceae |
 |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Geum japonicum | Geum | Rosaceae |
|
| derris malaccensis plain | Derris | Fabaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Allium macrostemon | Allium | Amaryllidaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
| Spiraea japonica | Spiraea | Rosaceae |
|
| Curcuma zedoaria | Curcuma | Zingiberaceae |
|
| Geijera parviflora | Geijera | Rutaceae |
Ingredient ID: NPC177480
Formula: C23H22O8
Ingredient ID: NPC177480
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2OC[C@@H]3[C@@](c2cc1OC)(O)C(=O)c1c(O3)c2C=CC(Oc2cc1O)(C)C |
| Standard InCHI | InChI=1S/C23H22O8/c1-22(2)6-5-11-14(31-22)8-13(24)19-20(11)30-18-10-29-15-9-17(28-4)16(27-3)7-12(15)23(18,26)21(19)25/h5-9,18,24,26H,10H2,1-4H3/t18-,23-/m1/s1 |
| Standard InCHIKey | OFLCPNIRDVOOEZ-WZONZLPQSA-N |
| Ingredient External Links |
PubChem CID: 155725 ZINC ID: ZINC000014721540 ChEMBL ID: CHEMBL419669 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC177480] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Amorpha fruticosa | Amorpha | Fabaceae |
|
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC16953
Formula: C23H22O6
Ingredient ID: NPC16953
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@H]1[C@@H]2C(=O)c2c(O1)c1C=CC(Oc1cc2)(C)C |
| Standard InCHI | InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m0/s1 |
| Standard InCHIKey | ORDAZKGHSNRHTD-VQTJNVASSA-N |
| Ingredient External Links |
PubChem CID: 184223 ZINC ID: ZINC000001531823 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC165549
Formula: C23H22O6
Ingredient ID: NPC165549
| Common Name | Deguelin |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C=CC(Oc1cc2)(C)C |
| Standard InCHI | InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1 |
| Standard InCHIKey | ORDAZKGHSNRHTD-UXHICEINSA-N |
| Ingredient External Links |
PubChem CID: 107935 ZINC ID: ZINC000003978987 ChEMBL ID: CHEMBL393417 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC165549] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Crotalaria paniculata | Crotalaria | Fabaceae |
|
| Cordia americana | Cordia | Cordiaceae | |
| Amorpha fruticosa | Amorpha | Fabaceae |
|
| Erycibe expansa | Erycibe | Convolvulaceae |
|
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| derris malaccensis plain | Derris | Fabaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Allium macrostemon | Allium | Amaryllidaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
| Spiraea japonica | Spiraea | Rosaceae |
|
| Geijera parviflora | Geijera | Rutaceae |
Ingredient ID: NPC156590
Formula: C20H18O4
Ingredient ID: NPC156590
| Common Name | 4-Hydroxyloncarpin |
| IUPAC Name | (E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Canonical SMILES | Oc1ccc(cc1)/C=C/C(=O)c1ccc2c(c1O)C=CC(O2)(C)C |
| Standard InCHI | InChI=1S/C20H18O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-12,21,23H,1-2H3/b9-5+ |
| Standard InCHIKey | IQHPDUUSMBMDGN-WEVVVXLNSA-N |
| Ingredient External Links |
PubChem CID: 5889042 ZINC ID: ZINC000014557836 ChEMBL ID: CHEMBL362378 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC156590] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Glycyrrhiza | Glycyrrhiza | Fabaceae |
|
| Ventilago leiocarpa | Ventilago | Rhamnaceae |
|
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scorzoneroides autumnalis | Scorzoneroides | Asteraceae | |
| Cullen corylifolium | Cullen | Fabaceae |
|
| Scopolia japonica | Scopolia | Solanaceae |
|
| Lactuca floridana | Lactuca | Asteraceae | |
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC156194
Formula: C23H22O9
Ingredient ID: NPC156194
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@]1(C)Oc2ccc3c(c2C=C1O)O[C@H]1[C@](C3=O)(O)c2cc(OC)c(cc2OC1)OC |
| Standard InCHI | InChI=1S/C23H22O9/c1-22(10-24)18(25)6-12-14(32-22)5-4-11-20(12)31-19-9-30-15-8-17(29-3)16(28-2)7-13(15)23(19,27)21(11)26/h4-8,19,24-25,27H,9-10H2,1-3H3/t19-,22+,23-/m1/s1 |
| Standard InCHIKey | CVBQATOPXWMRAQ-WTIAFYNJSA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD85319] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC152477
Formula: C23H22O7
Ingredient ID: NPC152477
| Common Name | Rotenolone |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@@H]1[C@@]2(O)C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C |
| Standard InCHI | InChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1 |
| Standard InCHIKey | JFVKWCYZKMUTLH-AYPBNUJASA-N |
| Ingredient External Links |
PubChem CID: 68184 ZINC ID: ZINC000004098734 ChEMBL ID: CHEMBL240545 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC152477] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Patrinia scabra | Patrinia | Caprifoliaceae |
|
| Indigofera spicata | Indigofera | Fabaceae |
|
| Erycibe expansa | Erycibe | Convolvulaceae |
|
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| derris malaccensis plain | Derris | Fabaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
| Pongamiopsis pervilleana | Pongamiopsis | Fabaceae |
Ingredient ID: NPC144312
Formula: C17H12O5
Ingredient ID: NPC144312
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1ccc2c(c1)OCc1c2oc2c1cc1c(c2)OCO1 |
| Standard InCHI | InChI=1S/C17H12O5/c1-18-9-2-3-10-13(4-9)19-7-12-11-5-15-16(21-8-20-15)6-14(11)22-17(10)12/h2-6H,7-8H2,1H3 |
| Standard InCHIKey | XWTCRKNSJARUIU-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 11822566 ZINC ID: ZINC000014820621 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Abrus pulchellus | Abrus | Fabaceae |
|
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Derris scandens | Derris | Fabaceae |
|
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC134160
Formula: C22H18O8
Ingredient ID: NPC134160
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@@H]1[C@@]2(O)C(=O)c2c(O1)c1cc(oc1cc2)C(=O)C |
| Standard InCHI | InChI=1S/C22H18O8/c1-10(23)15-6-12-14(29-15)5-4-11-20(12)30-19-9-28-16-8-18(27-3)17(26-2)7-13(16)22(19,25)21(11)24/h4-8,19,25H,9H2,1-3H3/t19-,22-/m1/s1 |
| Standard InCHIKey | FWTDRWPXOUFZKQ-DENIHFKCSA-N |
| Ingredient External Links |
PubChem CID: 10549503 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD123314] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC120593
Formula: C23H22O7
Ingredient ID: NPC120593
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2OC[C@@H]3[C@H](c2cc1OC)C(=O)c1c(O3)c2C=CC(Oc2cc1O)(C)C |
| Standard InCHI | InChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3/t18-,19+/m1/s1 |
| Standard InCHIKey | JLTNCZQNGBLBGO-MOPGFXCFSA-N |
| Ingredient External Links |
PubChem CID: 442826 ZINC ID: ZINC000001684799 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC120593] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Podocarpus macrophyllus | Podocarpus | Podocarpaceae |
|
| derris malaccensis plain | Derris | Fabaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC119209
Formula: C26H28O6
Ingredient ID: NPC119209
| Common Name | (2S)-6-(Gamma,Gamma-Dimethylallyl)-5,4'-Dihydroxy-3'-Methoxy-6'',6''-Dimethylpyran[2'',3'':7,8]Flavanone |
| IUPAC Name | (2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one |
| Canonical SMILES | COc1cc(ccc1O)[C@@H]1CC(=O)c2c(O1)c1C=CC(Oc1c(c2O)CC=C(C)C)(C)C |
| Standard InCHI | InChI=1S/C26H28O6/c1-14(2)6-8-16-23(29)22-19(28)13-20(15-7-9-18(27)21(12-15)30-5)31-25(22)17-10-11-26(3,4)32-24(16)17/h6-7,9-12,20,27,29H,8,13H2,1-5H3/t20-/m0/s1 |
| Standard InCHIKey | KCZWDIXZSAGPCD-FQEVSTJZSA-N |
| Ingredient External Links |
PubChem CID: 44559077 ChEMBL ID: CHEMBL464609 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD24612] Database: NPASS [NPC119209] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Lonchocarpus urucu | Lonchocarpus | Fabaceae | |
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Ingredient ID: NPC108450
Formula: C23H24O9
Ingredient ID: NPC108450
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | COc1cc2c(cc1OC)OC[C@@H]1[C@@]2(O)C(=O)c2c(O1)c1c(cc2)OC([C@@H]([C@@H]1O)O)(C)C |
| Standard InCHI | InChI=1S/C23H24O9/c1-22(2)21(26)18(24)17-12(32-22)6-5-10-19(17)31-16-9-30-13-8-15(29-4)14(28-3)7-11(13)23(16,27)20(10)25/h5-8,16,18,21,24,26-27H,9H2,1-4H3/t16-,18-,21-,23-/m1/s1 |
| Standard InCHIKey | XMGJLGOKKNELQY-QGKUPGEISA-N |
| Ingredient External Links |
PubChem CID: 10694586 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD27389] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scopolia japonica | Scopolia | Solanaceae |
|
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC108450 | C23H24O9 | 444.1420323 | -2.041 | 3 | 0.593 | 4 | 3 | 123.91 | 2 | 5 | 32 | 0 | |
| NPC119209 | C26H28O6 | (2S)-6-(Gamma,Gamma-Dimethylallyl)-5,4'-Dihydroxy-3'-Methoxy-6'',6''-Dimethylpyran[2'',3'':7,8]Flavanone | 436.19 | 1.3793 | 3.66 | 3.323 | 1 | 2 | 85.22 | 11 | 4 | 32 | 0 |
| NPC120593 | C23H22O7 | 410.136553 | -0.4116 | 3.22 | 1.588 | 1 | 1 | 83.45 | 7 | 5 | 30 | 0 | |
| NPC134160 | C22H18O8 | 410.1001675 | -1.8676 | 3 | 1.125 | 3 | 1 | 104.43 | 3 | 5 | 30 | 0 | |
| NPC144312 | C17H12O5 | 296.0684735 | -0.6511 | 2.78 | 2.414 | 0 | 0 | 50.06 | 1 | 5 | 22 | 0 | |
| NPC152477 | C23H22O7 | Rotenolone | 410.14 | -0.4478 | 3.22 | 1.558 | 2 | 1 | 83.45 | 7 | 5 | 30 | 0 |
| NPC156194 | C23H22O9 | 442.1263823 | -2.0031 | 3 | 0.916 | 4 | 3 | 123.91 | 3 | 5 | 32 | 0 | |
| NPC156590 | C20H18O4 | 4-Hydroxyloncarpin | 322.12 | 0.0845 | 3.22 | 4.164 | 1 | 2 | 66.76 | 7 | 3 | 24 | 0 |
| NPC165549 | C23H22O6 | Deguelin | 394.14 | 0.0487 | 3.33 | 2.551 | 1 | 0 | 63.22 | 6 | 5 | 29 | 0 |
| NPC16953 | C23H22O6 | 394.1416384 | 0.0487 | 3.33 | 2.551 | 1 | 0 | 63.22 | 2 | 5 | 29 | 0 | |
| NPC177480 | C23H22O8 | 426.13 | -1.0121 | 3.11 | 1.07 | 2 | 2 | 103.68 | 8 | 5 | 31 | 0 | |
| NPC180340 | C23H20O6 | Dehydrodeguelin | 392.13 | 0.0692 | 3.33 | 3.204 | 1 | 0 | 63.22 | 6 | 5 | 29 | 0 |
| NPC19097 | C23H20O6 | 392.1259884 | 0.1732 | 3.33 | 2.729 | 1 | 0 | 63.22 | 6 | 5 | 29 | 0 | |
| NPC192686 | C26H28O6 | (2S)-6-(Gamma,Gamma-Dimethylallyl)-5-3'-Dihydroxy-4'-Methoxy-6'',6''dimethylpyran[2'',3''7,8]Flavanone | 436.19 | 1.3793 | 3.66 | 3.323 | 1 | 2 | 85.22 | 11 | 4 | 32 | 0 |
| NPC207703 | C23H22O9 | 442.1263823 | -1.8253 | 3 | 2.042 | 3 | 2 | 112.91 | 2 | 5 | 32 | 0 | |
| NPC22117 | C23H18O7 | 406.1052529 | 0.1206 | 3.22 | 3.435 | 2 | 0 | 80.29 | 2 | 5 | 30 | 0 | |
| NPC222558 | C24H24O7 | 424.1522031 | -0.0393 | 3.33 | 1.648 | 2 | 0 | 72.45 | 4 | 5 | 31 | 0 | |
| NPC222837 | C23H24O9 | 444.1420323 | -2.041 | 3 | 0.593 | 4 | 3 | 123.91 | 2 | 5 | 32 | 0 | |
| NPC234255 | C21H20O5 | 3-Methoxy-4-Hydroxylonchocarpin | 352.13 | 0.0327 | 3.22 | 3.509 | 1 | 2 | 75.99 | 9 | 3 | 26 | 0 |
| NPC244364 | C22H24O4 | 3,4,5-Trimethoxy-6'',6''-Dimethylpyran[2'',3'':3',4']Stilbene | 352.17 | 1.2202 | 3.44 | 5.43 | 0 | 0 | 36.92 | 10 | 3 | 26 | 1 |
| NPC248299 | C23H20O7 | 408.120903 | -0.3361 | 3.22 | 3.482 | 1 | 0 | 72.45 | 6 | 5 | 30 | 0 | |
| NPC249626 | C23H22O7 | 410.136553 | -0.5518 | 3.22 | 2.033 | 2 | 1 | 83.45 | 2 | 5 | 30 | 0 | |
| NPC25281 | C23H20O7 | 408.120903 | -0.2321 | 3.22 | 3.007 | 1 | 0 | 72.45 | 3 | 5 | 30 | 0 | |
| NPC266576 | C23H22O7 | 410.136553 | -0.4478 | 3.22 | 1.558 | 2 | 1 | 83.45 | 3 | 5 | 30 | 0 | |
| NPC267212 | C23H26O8 | 430.1627678 | -1.2878 | 3.11 | 1.284 | 3 | 2 | 103.68 | 4 | 4 | 31 | 0 | |
| NPC267413 | C23H18O7 | 406.1052529 | 0.2246 | 3.22 | 2.96 | 2 | 0 | 80.29 | 3 | 5 | 30 | 0 | |
| NPC268183 | C23H23ClO7 | 446.1132308 | -0.551 | 3.11 | 2.054 | 2 | 1 | 83.45 | 3 | 5 | 31 | 0 | |
| NPC270030 | C20H20O3 | 4-[(E)-2-(5-Methoxy-2,2-Dimethylchromen-7-Yl)Ethenyl]Phenol | 308.14 | 0.8635 | 3.33 | 5.355 | 0 | 1 | 38.69 | 7 | 3 | 23 | 1 |
| NPC274810 | C23H24O7 | (6aR,12aR)-9,12a-dihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one | 412.1522031 | -0.0425 | 3.22 | 2.103 | 2 | 2 | 94.45 | 4 | 4 | 30 | 0 |
| NPC284820 | C27H30O6 | (2S)-6-(Gamma,Gamma-Dimethylallyl)-5-Hydroxy-3',4'-Dimethoxy-6'',6''-Dimethylpyran[2'',3'':7,8]Flavanone | 450.2 | 1.7878 | 3.77 | 3.842 | 1 | 1 | 74.22 | 12 | 4 | 33 | 0 |
| NPC298093 | C23H22O6 | Rotenone | 394.14 | 0.1527 | 3.33 | 2.076 | 1 | 0 | 63.22 | 6 | 5 | 29 | 0 |
| NPC306626 | C23H24O6 | 396.1572885 | 0.2014 | 3.33 | 2.724 | 1 | 0 | 63.22 | 4 | 4 | 29 | 0 | |
| NPC36661 | C21H22O4 | 2-Methoxy-4-[(E)-2-(5-Methoxy-2,2-Dimethylchromen-7-Yl)Ethenyl]Phenol | 338.15 | 0.8117 | 3.33 | 4.7 | 0 | 1 | 47.92 | 9 | 3 | 25 | 0 |
| NPC38315 | C24H24O7 | 424.1522031 | -0.1433 | 3.33 | 2.123 | 2 | 0 | 72.45 | 3 | 5 | 31 | 0 | |
| NPC40037 | C23H20O7 | 408.12 | -0.3911 | 3.22 | 2.241 | 1 | 1 | 83.45 | 7 | 5 | 30 | 0 | |
| NPC69389 | C24H24O7 | 424.1522031 | -0.1433 | 3.33 | 2.123 | 2 | 0 | 72.45 | 3 | 5 | 31 | 0 | |
| NPC71498 | C23H24O9 | 444.1420323 | -2.3561 | 3 | 0.491 | 4 | 3 | 123.91 | 3 | 5 | 32 | 0 | |
| NPC74559 | C23H24O9 | 444.1420323 | -2.041 | 3 | 0.593 | 4 | 3 | 123.91 | 9 | 5 | 32 | 0 | |
| NPC8965 | C23H22O7 | Tephrosin | 410.14 | -0.5518 | 3.22 | 2.033 | 2 | 1 | 83.45 | 7 | 5 | 30 | 0 |
| NPC9556 | C23H24O9 | 444.1420323 | -2.041 | 3 | 0.593 | 4 | 3 | 123.91 | 2 | 5 | 32 | 0 | |
| NPC98929 | C24H24O7 | 424.1522031 | -0.0393 | 3.33 | 1.648 | 2 | 0 | 72.45 | 4 | 5 | 31 | 0 |
Download Data
All data can be downloaded by:→ Selecting data type in the below download table
→ Then click the download button.
