(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
| Internal ID | 633fc549-cd4c-43d9-9984-969a6dc452c8 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 8-O-methylated isoflavonoids |
| IUPAC Name | (3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol |
| SMILES (Canonical) | COC1=C(C(=C(C=C1)C2CC3=C(C(=C(C=C3)O)OC)OC2)O)OC |
| SMILES (Isomeric) | COC1=C(C(=C(C=C1)[C@@H]2CC3=C(C(=C(C=C3)O)OC)OC2)O)OC |
| InChI | InChI=1S/C18H20O6/c1-21-14-7-5-12(15(20)18(14)23-3)11-8-10-4-6-13(19)17(22-2)16(10)24-9-11/h4-7,11,19-20H,8-9H2,1-3H3/t11-/m1/s1 |
| InChI Key | BHZCUYWXAHPWFV-LLVKDONJSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H20O6 |
| Molecular Weight | 332.30 g/mol |
| Exact Mass | 332.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 77.40 Ų |
| XlogP | 2.90 |
| 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 | 95.25% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.96% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.01% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.66% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.54% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.22% | 86.33% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 87.77% | 94.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.98% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.91% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.00% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.50% | 95.56% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.40% | 82.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.88% | 89.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.60% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.95% | 98.95% |
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.
| Dalbergia odorifera |
| Eysenhardtia polystachya |
| PubChem | 163043371 |
| LOTUS | LTS0080721 |
| wikiData | Q104936324 |