(3R)-7,2'-Dihydroxy-4',5'-dimethoxyisoflavan
| Internal ID | 3ec97b83-7c75-4103-bd64-2945273dc17b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids |
| IUPAC Name | 3-(2-hydroxy-4,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol |
| SMILES (Canonical) | COC1=C(C=C(C(=C1)C2CC3=C(C=C(C=C3)O)OC2)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C(=C1)C2CC3=C(C=C(C=C3)O)OC2)O)OC |
| InChI | InChI=1S/C17H18O5/c1-20-16-7-13(14(19)8-17(16)21-2)11-5-10-3-4-12(18)6-15(10)22-9-11/h3-4,6-8,11,18-19H,5,9H2,1-2H3 |
| InChI Key | URROMFHEVDBJIW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H18O5 |
| Molecular Weight | 302.32 g/mol |
| Exact Mass | 302.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 2.90 |
| (3R)-7,2'-Dihydroxy-4',5'-dimethoxyisoflavan |
| LMPK12080036 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.42% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.40% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 91.05% | 91.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.68% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.54% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.41% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.58% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.83% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.61% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.49% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.08% | 90.00% |
| CHEMBL236 | P41143 | Delta opioid receptor | 86.55% | 99.35% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.44% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.85% | 94.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.64% | 82.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.24% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.49% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.46% | 94.45% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.92% | 100.00% |
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 odorifera |
| Dalbergia parviflora |
| PubChem | 14353658 |
| LOTUS | LTS0057808 |
| wikiData | Q105277998 |