Isokotanin A
| Internal ID | 378413d4-61cf-4856-840a-06f9121a4113 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 6-(4,7-dimethoxy-5-methyl-2-oxochromen-6-yl)-4,7-dimethoxy-5-methylchromen-2-one |
| SMILES (Canonical) | CC1=C2C(=CC(=C1C3=C(C=C4C(=C3C)C(=CC(=O)O4)OC)OC)OC)OC(=O)C=C2OC |
| SMILES (Isomeric) | CC1=C2C(=CC(=C1C3=C(C=C4C(=C3C)C(=CC(=O)O4)OC)OC)OC)OC(=O)C=C2OC |
| InChI | InChI=1S/C24H22O8/c1-11-21-15(29-5)9-19(25)31-17(21)7-13(27-3)23(11)24-12(2)22-16(30-6)10-20(26)32-18(22)8-14(24)28-4/h7-10H,1-6H3 |
| InChI Key | YZMPQQODLHAXHU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H22O8 |
| Molecular Weight | 438.40 g/mol |
| Exact Mass | 438.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 89.50 Ų |
| XlogP | 3.60 |
| 6-(4,7-dimethoxy-5-methyl-2-oxochromen-6-yl)-4,7-dimethoxy-5-methylchromen-2-one |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.82% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.00% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.45% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.81% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.92% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.15% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.03% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.52% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.62% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.60% | 99.23% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.50% | 94.03% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.20% | 96.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Eclipta prostrata |
| PubChem | 10950208 |
| LOTUS | LTS0106487 |
| wikiData | Q104991344 |