Neovestitol
| Internal ID | d6a8f520-117e-402c-a1f7-3797d715c8de |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids |
| IUPAC Name | 4-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol |
| SMILES (Canonical) | COC1=CC2=C(CC(CO2)C3=C(C=C(C=C3)O)O)C=C1 |
| SMILES (Isomeric) | COC1=CC2=C(CC(CO2)C3=C(C=C(C=C3)O)O)C=C1 |
| InChI | InChI=1S/C16H16O4/c1-19-13-4-2-10-6-11(9-20-16(10)8-13)14-5-3-12(17)7-15(14)18/h2-5,7-8,11,17-18H,6,9H2,1H3 |
| InChI Key | IAYVKGXLPAEGDI-UHFFFAOYSA-N |
| Popularity | 3 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 |
| Neo-vestitol |
| 2',4'-Dihydroxy-7-methoxyisoflavan |
| 71772-21-9 |
| CHEBI:180149 |
| LMPK12080029 |
| 4-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol |
| 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 | 98.35% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.85% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.90% | 93.99% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.88% | 91.79% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.16% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.13% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.81% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.58% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.49% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.21% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.86% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.80% | 93.40% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.11% | 99.35% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.72% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.67% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.82% | 94.00% |
| CHEMBL267 | P12931 | Tyrosine-protein kinase SRC | 85.47% | 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% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.75% | 92.62% |
| CHEMBL3085 | P43003 | Excitatory amino acid transporter 1 | 81.06% | 94.67% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.89% | 96.12% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.49% | 91.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.01% | 98.75% |
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.
| Endosamara racemosa |
| PubChem | 44257510 |
| LOTUS | LTS0042957 |
| wikiData | Q105036367 |