13 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: NPC62042
Formula: C14H10O6
Ingredient ID: NPC62042
| Common Name | Gentiakochianin |
| IUPAC Name | 1,2,8-trihydroxy-6-methoxyxanthen-9-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc1c(c2=O)c(O)c(cc1)O |
| Standard InCHI | InChI=1S/C14H10O6/c1-19-6-4-8(16)11-10(5-6)20-9-3-2-7(15)13(17)12(9)14(11)18/h2-5,15-17H,1H3 |
| Standard InCHIKey | BDBVOZGRVBXANN-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5281661 ZINC ID: ZINC000005998778 ChEMBL ID: CHEMBL187044 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC62042] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana scabra | Gentiana | Gentianaceae |
  |
| Gentiana brachyphylla | Gentiana | Gentianaceae | |
| Cotula cinerea | Cotula | Asteraceae |
|
| Swertia pseudochinensis | Swertia | Gentianaceae |
|
| Swertia decora | Swertia | Gentianaceae | |
| Drypetes molunduana | Drypetes | Putranjivaceae | |
| Gentiana kochiana | Gentiana | Gentianaceae |
|
| Swertia calycina | Swertia | Gentianaceae | |
| Swertia angustifolia | Swertia | Gentianaceae |
|
| Calophyllum apetalum | Calophyllum | Calophyllaceae |
|
| Swertia japonica | Swertia | Gentianaceae |
|
| Consolida oliveriana | Consolida | Ranunculaceae | |
| Polygala fallax | Polygala | Polygalaceae | |
| Lophozia barbata | Lophozia | Scapaniaceae | |
| Monnina emarginata | Monnina | Polygalaceae | |
| Pyrus calleryana | Pyrus | Rosaceae |
|
| Wettsteinia inversa | Wettsteinia | Adelanthaceae | |
| Euphorbia makinoi | Euphorbia | Euphorbiaceae | |
| Smirnowia iranica | Smirnowia | Fabaceae |
Ingredient ID: NPC41436
Formula: C20H28O5
Ingredient ID: NPC41436
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@@]12CCC[C@]([C@H]1C[C@H]([C@@]13[C@H]2CC[C@H]([C@H]3O)C(=C)C1=O)O)(C)C=O |
| Standard InCHI | InChI=1S/C20H28O5/c1-11-12-4-5-13-19(10-22)7-3-6-18(2,9-21)14(19)8-15(23)20(13,16(11)24)17(12)25/h9,12-15,17,22-23,25H,1,3-8,10H2,2H3/t12-,13-,14+,15+,17+,18+,19+,20-/m0/s1 |
| Standard InCHIKey | ZDLUERJVCJYBIT-IIRAHQKESA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD62038] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pterocarpus santalinus | Pterocarpus | Fabaceae |
 |
| Gentiana brachyphylla | Gentiana | Gentianaceae |
Ingredient ID: NPC297424
Formula: C20H30O6
Ingredient ID: NPC297424
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@@]12[C@@H](O)CC[C@]([C@H]1C[C@H]([C@@]13[C@H]2CC[C@H]([C@H]3O)C(=C)C1=O)O)(C)CO |
| Standard InCHI | InChI=1S/C20H30O6/c1-10-11-3-4-12-19(9-22)13(18(2,8-21)6-5-14(19)23)7-15(24)20(12,16(10)25)17(11)26/h11-15,17,21-24,26H,1,3-9H2,2H3/t11-,12-,13+,14-,15+,17+,18+,19-,20-/m0/s1 |
| Standard InCHIKey | TWFHOUXMAZZNJD-GFPDKIFBSA-N |
| Ingredient External Links |
PubChem CID: 11581417 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD114028] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pterocarpus santalinus | Pterocarpus | Fabaceae |
|
| Gentiana brachyphylla | Gentiana | Gentianaceae |
Ingredient ID: NPC257622
Formula: C20H28O5
Ingredient ID: NPC257622
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O=C[C@@]1(C)CC[C@@H]([C@@]2([C@@H]1C[C@@H](O)[C@@]13[C@H]2CC[C@H]([C@H]3O)C(=C)C1=O)C)O |
| Standard InCHI | InChI=1S/C20H28O5/c1-10-11-4-5-12-19(3)13(18(2,9-21)7-6-14(19)22)8-15(23)20(12,16(10)24)17(11)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3/t11-,12-,13+,14-,15+,17+,18+,19-,20-/m0/s1 |
| Standard InCHIKey | JKZLKZYPQLSLFH-GFPDKIFBSA-N |
| Ingredient External Links |
PubChem CID: 11233340 |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD159581] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pterocarpus santalinus | Pterocarpus | Fabaceae |
|
| Gentiana brachyphylla | Gentiana | Gentianaceae |
Ingredient ID: NPC22195
Formula: C20H20O11
Ingredient ID: NPC22195
| Common Name | n.a. |
| IUPAC Name | 1,5-dihydroxy-3-methoxy-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one |
| Canonical SMILES | OC[C@@H]1O[C@H](Oc2ccc(c3c2c(=O)c2c(o3)cc(cc2O)OC)O)[C@H]([C@@H]([C@H]1O)O)O |
| Standard InCHI | InChI=1S/C20H20O11/c1-28-7-4-9(23)13-11(5-7)29-19-8(22)2-3-10(14(19)16(13)25)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20-/m0/s1 |
| Standard InCHIKey | XMVBNLMKPMPWAX-DZUHBENNSA-N |
| Ingredient External Links |
PubChem CID: 44144324 |
| Plant-Ingredient Association Reference |
Database: NPASS [NPC22195] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Gentiana brachyphylla | Gentiana | Gentianaceae | |
| Swertia calycina | Swertia | Gentianaceae | |
| Gentiana germanica | Gentiana | Gentianaceae |
|
| Swertia japonica | Swertia | Gentianaceae |
|
Ingredient ID: NPC199796
Formula: C21H30O5
Ingredient ID: NPC199796
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CO[C@@H]1O[C@@H]2C[C@H]3[C@@]1([C@@H](O)CCC3(C)C)[C@H]1[C@@]32[C@H](O)[C@@H](CC1)C(=C)C3=O |
| Standard InCHI | InChI=1S/C21H30O5/c1-10-11-5-6-12-20-13(19(2,3)8-7-14(20)22)9-15(26-18(20)25-4)21(12,16(10)23)17(11)24/h11-15,17-18,22,24H,1,5-9H2,2-4H3/t11-,12-,13+,14-,15+,17+,18+,20+,21-/m0/s1 |
| Standard InCHIKey | HZXIWBLGRBHNQF-HWZCDQJBSA-N |
| Ingredient External Links |
ZINC ID: ZINC000095912609 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pterocarpus santalinus | Pterocarpus | Fabaceae |
|
| Gentiana brachyphylla | Gentiana | Gentianaceae |
Ingredient ID: NPC181594
Formula: C20H30O4
Ingredient ID: NPC181594
| Common Name | Kamebanin |
| IUPAC Name | n.a. |
| Canonical SMILES | C=C1[C@@H]2CC[C@@H]3[C@](C1=O)([C@@H]2O)[C@H](O)C[C@H]1[C@@]3(C)[C@@H](O)CCC1(C)C |
| Standard InCHI | InChI=1S/C20H30O4/c1-10-11-5-6-12-19(4)13(18(2,3)8-7-14(19)21)9-15(22)20(12,16(10)23)17(11)24/h11-15,17,21-22,24H,1,5-9H2,2-4H3/t11-,12-,13+,14-,15+,17+,19-,20-/m0/s1 |
| Standard InCHIKey | VSDVMWBRICFVRW-BIGDWJEQSA-N |
| Ingredient External Links |
PubChem CID: 12004580 ZINC ID: ZINC000008829474 ChEMBL ID: CHEMBL472437 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC181594] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pterocarpus santalinus | Pterocarpus | Fabaceae |
|
| Gentiana brachyphylla | Gentiana | Gentianaceae | |
| Rabdosia excisa | Isodon | Lamiaceae |
|
| Isodon scoparius | Isodon | Lamiaceae | |
| Isodon kameba | Isodon | Lamiaceae |
|
Ingredient ID: NPC180849
Formula: C20H28O4
Ingredient ID: NPC180849
| Common Name | Glaucocalyxin A |
| IUPAC Name | n.a. |
| Canonical SMILES | C=C1[C@@H]2CC[C@@H]3[C@](C1=O)([C@@H]2O)[C@H](O)C[C@H]1[C@@]3(C)CCC(=O)C1(C)C |
| Standard InCHI | InChI=1S/C20H28O4/c1-10-11-5-6-12-19(4)8-7-14(21)18(2,3)13(19)9-15(22)20(12,16(10)23)17(11)24/h11-13,15,17,22,24H,1,5-9H2,2-4H3/t11-,12-,13+,15+,17+,19-,20-/m0/s1 |
| Standard InCHIKey | UCDVIBNDYLUWFP-MJTHGBBVSA-N |
| Ingredient External Links |
PubChem CID: 10471963 ZINC ID: ZINC000003918317 ChEMBL ID: CHEMBL549359 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC180849] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pterocarpus santalinus | Pterocarpus | Fabaceae |
|
| Gentiana brachyphylla | Gentiana | Gentianaceae | |
| Isodon japonica var. glaucocalyx | Isodon | Lamiaceae | |
| Isodon pharicus | Isodon | Lamiaceae |
Ingredient ID: NPC173404
Formula: C21H30O5
Ingredient ID: NPC173404
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | O=CC[C@@]1(C)CCC[C@@]2([C@@H]1C[C@@H](O)[C@@]13[C@H]2CC[C@H]([C@H]3O)C(=C)C1=O)CO |
| Standard InCHI | InChI=1S/C21H30O5/c1-12-13-4-5-14-20(11-23)7-3-6-19(2,8-9-22)15(20)10-16(24)21(14,17(12)25)18(13)26/h9,13-16,18,23-24,26H,1,3-8,10-11H2,2H3/t13-,14-,15+,16+,18+,19+,20+,21-/m0/s1 |
| Standard InCHIKey | LNZGSCAHRLPKJP-GQIULXPASA-N |
| Ingredient External Links | |
| Plant-Ingredient Association Reference |
Database: UNPD [UNPD164516] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pterocarpus santalinus | Pterocarpus | Fabaceae |
|
| Gentiana brachyphylla | Gentiana | Gentianaceae |
Ingredient ID: NPC166993
Formula: C26H36O9
Ingredient ID: NPC166993
| Common Name | Weisiensin A |
| IUPAC Name | n.a. |
| Canonical SMILES | CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@]1(C)[C@@H](OC(=O)C)C[C@@H](C([C@H]1[C@H]([C@@H]3OC(=O)C)O)(C)C)O)C(=O)C2=C |
| Standard InCHI | InChI=1S/C26H36O9/c1-11-15-8-16(33-12(2)27)20-25(7)18(34-13(3)28)9-17(30)24(5,6)21(25)19(31)23(35-14(4)29)26(20,10-15)22(11)32/h15-21,23,30-31H,1,8-10H2,2-7H3/t15-,16+,17+,18+,19-,20+,21-,23+,25+,26+/m1/s1 |
| Standard InCHIKey | QTLPNFQMZWBMDF-LYVLPCRDSA-N |
| Ingredient External Links |
PubChem CID: 14355978 ZINC ID: ZINC000028536335 ChEMBL ID: CHEMBL486058 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC166993] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pterocarpus santalinus | Pterocarpus | Fabaceae |
|
| Gentiana brachyphylla | Gentiana | Gentianaceae | |
| Isodon nervosus | Isodon | Lamiaceae |
Ingredient ID: NPC163963
Formula: C22H32O6
Ingredient ID: NPC163963
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | CC(=O)OC[C@@]1(C)CC[C@@H]([C@@]2([C@@H]1C[C@@H](O)[C@]13[C@H]2CC[C@H]([C@H]1O)C(=C)C3=O)C)O |
| Standard InCHI | InChI=1S/C22H32O6/c1-11-13-5-6-14-21(4)15(9-17(25)22(14,18(11)26)19(13)27)20(3,8-7-16(21)24)10-28-12(2)23/h13-17,19,24-25,27H,1,5-10H2,2-4H3/t13-,14-,15+,16-,17+,19+,20+,21-,22-/m0/s1 |
| Standard InCHIKey | SOISFJAFHWJMRU-AWQMTSQZSA-N |
| Ingredient External Links |
PubChem CID: 44575548 ZINC ID: ZINC000040406465 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC163963] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pterocarpus santalinus | Pterocarpus | Fabaceae |
|
| Gentiana brachyphylla | Gentiana | Gentianaceae | |
| Rabdosia excisa | Isodon | Lamiaceae |
|
Ingredient ID: NPC15362
Formula: C20H30O5
Ingredient ID: NPC15362
| Common Name | n.a. |
| IUPAC Name | n.a. |
| Canonical SMILES | OC[C@@]1(C)CC[C@@H]([C@@]2([C@@H]1C[C@@H](O)[C@@]13[C@H]2CC[C@H]([C@H]3O)C(=C)C1=O)C)O |
| Standard InCHI | InChI=1S/C20H30O5/c1-10-11-4-5-12-19(3)13(18(2,9-21)7-6-14(19)22)8-15(23)20(12,16(10)24)17(11)25/h11-15,17,21-23,25H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15+,17+,18+,19-,20-/m0/s1 |
| Standard InCHIKey | NQABJFRJEKCYEC-GFPDKIFBSA-N |
| Ingredient External Links |
PubChem CID: 10066480 ZINC ID: ZINC000040933980 |
| Plant-Ingredient Association Reference |
Database: UNPD [] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Pterocarpus santalinus | Pterocarpus | Fabaceae |
|
| Gentiana brachyphylla | Gentiana | Gentianaceae |
Ingredient ID: NPC117579
Formula: C16H14O6
Ingredient ID: NPC117579
| Common Name | Decussatin |
| IUPAC Name | 8-hydroxy-1,2,6-trimethoxyxanthen-9-one |
| Canonical SMILES | COc1cc(O)c2c(c1)oc1c(c2=O)c(OC)c(cc1)OC |
| Standard InCHI | InChI=1S/C16H14O6/c1-19-8-6-9(17)13-12(7-8)22-10-4-5-11(20-2)16(21-3)14(10)15(13)18/h4-7,17H,1-3H3 |
| Standard InCHIKey | VYRIGRQQKUZPEX-UHFFFAOYSA-N |
| Ingredient External Links |
PubChem CID: 5378284 ZINC ID: ZINC000006719013 ChEMBL ID: CHEMBL26323 |
| Plant-Ingredient Association Reference |
DOI: 10.1016/S0031-9422(00)94333-4 Database: NPASS [NPC117579] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Swertia decussata | Swertia | Gentianaceae |
|
| Gentiana brachyphylla | Gentiana | Gentianaceae | |
| Swertia paniculata | Swertia | Gentianaceae |
|
| Gentiana kochiana | Gentiana | Gentianaceae |
|
| Swertia calycina | Swertia | Gentianaceae | |
| Andrographis paniculata | Andrographis | Acanthaceae |
|
| Swertia mussotii | Swertia | Gentianaceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC117579 | C16H14O6 | Decussatin | 302.08 | -1.0336 | 2.56 | 1.208 | 1 | 1 | 74.22 | 7 | 3 | 22 | 0 |
| NPC15362 | C20H30O5 | 350.2093241 | -1.5848 | 3.11 | -0.013 | 5 | 4 | 97.99 | 1 | 4 | 25 | 0 | |
| NPC163963 | C22H32O6 | 392.2198887 | -1.2057 | 3.22 | 0.727 | 6 | 3 | 104.06 | 9 | 4 | 28 | 0 | |
| NPC166993 | C26H36O9 | Weisiensin A | 492.24 | -0.6306 | 3.33 | 1.068 | 9 | 2 | 136.43 | 14 | 4 | 35 | 0 |
| NPC173404 | C21H30O5 | 362.2093241 | -1.8113 | 3.22 | 1.181 | 5 | 3 | 94.83 | 3 | 4 | 26 | 0 | |
| NPC180849 | C20H28O4 | Glaucocalyxin A | 332.2 | 0.0756 | 3.22 | 0.934 | 4 | 2 | 74.6 | 5 | 4 | 24 | 0 |
| NPC181594 | C20H30O4 | Kamebanin | 334.21 | -0.4941 | 3.22 | 1.752 | 4 | 3 | 77.76 | 6 | 4 | 24 | 0 |
| NPC199796 | C21H30O5 | 362.2093241 | -0.7495 | 3.22 | 1.622 | 5 | 2 | 75.99 | 1 | 3 | 26 | 0 | |
| NPC22195 | C20H20O11 | 436.1005615 | -3.5975 | 2.45 | -0.938 | 11 | 6 | 175.37 | 11 | 4 | 31 | 1 | |
| NPC257622 | C20H28O5 | 348.193674 | -1.3285 | 3.11 | 0.094 | 5 | 3 | 94.83 | 1 | 4 | 25 | 0 | |
| NPC297424 | C20H30O6 | 366.2042387 | -2.6755 | 3 | -0.716 | 6 | 5 | 118.22 | 2 | 4 | 26 | 0 | |
| NPC41436 | C20H28O5 | 348.193674 | -1.8461 | 3.11 | 0.203 | 5 | 3 | 94.83 | 2 | 4 | 25 | 0 | |
| NPC62042 | C14H10O6 | Gentiakochianin | 274.05 | -1.8506 | 2.34 | 0.599 | 1 | 3 | 96.22 | 5 | 3 | 20 | 0 |
Download Data
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