Vestitol
| Internal ID | fd5d0cbe-8292-4c83-9610-8bc48f69d042 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids |
| IUPAC Name | 3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol |
| SMILES (Canonical) | COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)O |
| SMILES (Isomeric) | COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)O |
| InChI | InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3 |
| InChI Key | XRVFNNUXNVWYTI-UHFFFAOYSA-N |
| Popularity | 25 references in papers |
| Molecular Formula | C16H16O4 |
| Molecular Weight | 272.29 g/mol |
| Exact Mass | 272.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 2.90 |
| 56701-24-7 |
| (+/-)-Vestitol |
| DL-Vestitol |
| 2',7-DIHYDROXY-4'-METHOXYISOFLAVAN |
| 3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol |
| 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)- |
| Vestitol, (+/-)- |
| Z244UVZ669 |
| (3R)-Vestitol; (R)-(-)-Vestitol; Vestitol |
| 3,4-Dihydro-3-(2-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-7-ol |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.34% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.78% | 96.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.12% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.98% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.13% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 90.90% | 91.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.04% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.77% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.12% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.01% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.61% | 93.99% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.02% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.67% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.12% | 93.40% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.82% | 94.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 85.62% | 99.35% |
| CHEMBL267 | P12931 | Tyrosine-protein kinase SRC | 85.60% | 95.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.10% | 94.45% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.64% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.90% | 100.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.76% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.08% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.83% | 92.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.53% | 95.93% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 81.06% | 94.67% |
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.
| PubChem | 92503 |
| LOTUS | LTS0195438 |
| wikiData | Q27137428 |