Isovestitol
Internal ID | 5282825e-0bd7-4227-9d59-555ef034c5f9 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 2-O-methylated isoflavonoids |
IUPAC Name | 3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol |
SMILES (Canonical) | COC1=C(C=CC(=C1)O)C2CC3=C(C=C(C=C3)O)OC2 |
SMILES (Isomeric) | COC1=C(C=CC(=C1)O)C2CC3=C(C=C(C=C3)O)OC2 |
InChI | InChI=1S/C16H16O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3 |
InChI Key | FFDNYMAHNWBKCH-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 |
Isovestitol, (+/-)- |
7,4'-Dihydroxy-2'-methoxyisoflavan |
(3RS)-7,4'-Dihydroxy-2'-methoxyisoflavan |
H281Z02913 |
2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxy-2-methoxyphenyl)- |
UNII-H281Z02913 |
63631-42-5 |
75172-32-6 |
DTXSID20343729 |
CHEBI:174582 |
There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of Isovestitol 2D Structure of Isovestitol](https://plantaedb.com/storage/docs/compounds/2023/11/isovestitol.jpg)
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 | 96.74% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.44% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.66% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.75% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.85% | 95.89% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.99% | 99.17% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.02% | 89.62% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.59% | 95.56% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.45% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.10% | 92.94% |
CHEMBL236 | P41143 | Delta opioid receptor | 84.83% | 99.35% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.16% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 84.05% | 98.95% |
CHEMBL2535 | P11166 | Glucose transporter | 83.84% | 98.75% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.60% | 100.00% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.31% | 82.67% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.03% | 97.14% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.35% | 91.19% |
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.
Gliricidia sepium |
Robinia pseudoacacia |
PubChem | 591830 |
LOTUS | LTS0152154 |
wikiData | Q27279540 |