Hedysarimcoumestan D
| Internal ID | 44a213cb-0e95-48cf-8df1-e7b50a2b0fde |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Coumestans |
| IUPAC Name | 1,3-dihydroxy-9-methoxy-10-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC3=C2C(=O)OC4=CC(=CC(=C43)O)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1OC3=C2C(=O)OC4=CC(=CC(=C43)O)O)OC)C |
| InChI | InChI=1S/C21H18O6/c1-10(2)4-5-12-15(25-3)7-6-13-17-20(27-19(12)13)18-14(23)8-11(22)9-16(18)26-21(17)24/h4,6-9,22-23H,5H2,1-3H3 |
| InChI Key | UZXYJCDGZYNGGZ-UHFFFAOYSA-N |
| Popularity | 2 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 |
| There are no found synonyms. |
| 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 | 98.68% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.25% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.77% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 93.56% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.18% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.83% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.13% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.92% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.32% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.76% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.93% | 94.73% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 87.05% | 90.20% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.63% | 96.12% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.21% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.14% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.20% | 99.23% |
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.
| There are no matching plants. |
| PubChem | 11494339 |
| LOTUS | LTS0146202 |
| wikiData | Q105282534 |