7',3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin
| Internal ID | 2c948f3d-f599-4e42-afbe-b9e43481be00 |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Neoflavones |
| IUPAC Name | 4-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxychromen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H12O6/c1-21-13-5-9(17)6-14-16(13)10(7-15(20)22-14)8-2-3-11(18)12(19)4-8/h2-7,17-19H,1H3 |
| InChI Key | XHSQEMRVWPSWDD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H12O6 |
| Molecular Weight | 300.26 g/mol |
| Exact Mass | 300.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 2.00 |
| 4-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxychromen-2-one |
| CHEBI:183619 |
| 4-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-2H-chromen-2-one |
| LMPK12100057 |
| 2H-1-benzopyran-2-one, 4-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy- |
| InChI=1/C16H12O6/c1-21-13-5-9(17)6-14-16(13)10(7-15(20)22-14)8-2-3-11(18)12(19)4-8/h2-7,17-19H,1H |
| 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 | 98.16% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.25% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.76% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.54% | 86.33% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 92.79% | 80.78% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.33% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.06% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 91.69% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.53% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.35% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.96% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.26% | 96.09% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 85.55% | 95.53% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 85.13% | 98.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.94% | 99.23% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.98% | 95.78% |
| CHEMBL5903 | Q04771 | Activin receptor type-1 | 82.41% | 89.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.60% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.36% | 95.50% |
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.
| Coutarea hexandra |
| PubChem | 5324351 |
| LOTUS | LTS0196620 |
| wikiData | Q105328275 |