6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavan
| Internal ID | e56aa1ac-b61a-4dc9-84d9-18871a1154a7 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 3-hydroxy,4-methoxyisoflavonoids |
| IUPAC Name | 3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-6,7-diol |
| SMILES (Canonical) | COC1=C(C(=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O)OC)O |
| SMILES (Isomeric) | COC1=C(C(=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O)OC)O |
| InChI | InChI=1S/C17H18O6/c1-21-14-4-3-11(17(22-2)16(14)20)10-5-9-6-12(18)13(19)7-15(9)23-8-10/h3-4,6-7,10,18-20H,5,8H2,1-2H3 |
| InChI Key | UGMLMXOTFZEATD-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H18O6 |
| Molecular Weight | 318.32 g/mol |
| Exact Mass | 318.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 88.40 Ų |
| XlogP | 2.60 |
| 6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavan |
| DTXSID801153228 |
| LMPK12080038 |
| 3',6,7-trihydroxy-2',4'-dimethoxyisoflavan |
| 3,4-Dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-2H-1-benzopyran-6,7-diol |
| 82864-42-4 |
| 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 | 97.92% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.28% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.82% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.23% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.57% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.63% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.68% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.39% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.33% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.29% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.16% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.27% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.28% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.08% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.04% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.98% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.82% | 98.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.20% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.65% | 93.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.59% | 99.15% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.40% | 94.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.28% | 92.62% |
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.
| Brya ebenus |
| PubChem | 44257512 |
| LOTUS | LTS0049471 |
| wikiData | Q104250455 |