3,9-Dihydroxy-1-methoxy-8-prenylcoumestan
| Internal ID | 8f1ba3b7-597d-4814-8f54-0efe072409f3 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Coumestans |
| IUPAC Name | 3,9-dihydroxy-1-methoxy-8-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one |
| SMILES (Canonical) | CC(=CCC1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C(=CC(=C4)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C(=CC(=C4)O)OC)C |
| InChI | InChI=1S/C21H18O6/c1-10(2)4-5-11-6-13-15(9-14(11)23)26-20-18(13)21(24)27-17-8-12(22)7-16(25-3)19(17)20/h4,6-9,22-23H,5H2,1-3H3 |
| InChI Key | NPVAVSPMDJQPRK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H18O6 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 89.10 Ų |
| XlogP | 4.70 |
| LMPK12090042 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.40% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.48% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.18% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.80% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.68% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.63% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.15% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.73% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.50% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.05% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 88.06% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.29% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.75% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.08% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.44% | 96.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.12% | 89.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.57% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.42% | 91.71% |
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.
| Lotus creticus |
| PubChem | 14463173 |
| LOTUS | LTS0272722 |
| wikiData | Q105183462 |