(3S)-7-O-methylvestitol
| Internal ID | 4955fd35-2ff1-4736-ae73-a6887d73206d |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids |
| IUPAC Name | 5-methoxy-2-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol |
| SMILES (Canonical) | COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)OC)OC2)O |
| SMILES (Isomeric) | COC1=CC(=C(C=C1)[C@@H]2CC3=C(C=C(C=C3)OC)OC2)O |
| InChI | InChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m1/s1 |
| InChI Key | FWAWTPASGRNXTO-GFCCVEGCSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H18O4 |
| Molecular Weight | 286.32 g/mol |
| Exact Mass | 286.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 3.30 |
| CHEMBL268317 |
| (3s)-2'-hydroxy-7 ,4'-dimethoxyisoflavan |
| 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 | 98.27% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.35% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.49% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.70% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.58% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.49% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.72% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.72% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.71% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.13% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.02% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.47% | 93.40% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.71% | 91.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.99% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.34% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.69% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.45% | 92.62% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.34% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.90% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.31% | 97.93% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.44% | 92.94% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.54% | 91.00% |
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 ecastaphyllum |
| PubChem | 44446856 |
| LOTUS | LTS0027651 |
| wikiData | Q105003068 |