(3S)-3-(2,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one
| Internal ID | 8ecc1122-a6a9-45d3-b42d-fdf203ea2595 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 3-O-methylated isoflavonoids |
| IUPAC Name | (3S)-3-(2,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=C(C=C(C(=C1)C2COC3=C(C2=O)C=CC(=C3)O)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C(=C1)[C@H]2COC3=C(C2=O)C=CC(=C3)O)O)O |
| InChI | InChI=1S/C16H14O6/c1-21-15-5-10(12(18)6-13(15)19)11-7-22-14-4-8(17)2-3-9(14)16(11)20/h2-6,11,17-19H,7H2,1H3/t11-/m1/s1 |
| InChI Key | KPWKGYKPSLJFDC-LLVKDONJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H14O6 |
| Molecular Weight | 302.28 g/mol |
| Exact Mass | 302.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 2.00 |
| 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 | 97.83% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.98% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.89% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.82% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.38% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.78% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.94% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.67% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.19% | 98.75% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.18% | 82.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.67% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.11% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.38% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.58% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.28% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.82% | 99.15% |
| CHEMBL3194 | P02766 | Transthyretin | 80.65% | 90.71% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.52% | 90.71% |
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.
| Lespedeza homoloba |
| Withania somnifera |
| PubChem | 162847906 |
| LOTUS | LTS0183406 |
| wikiData | Q105154330 |