4',7-Dihydroxy-2'-methoxy-3'-prenylisoflavan
| Internal ID | a5a640e0-3f06-4a12-be49-8a78c1aa79a7 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 2-O-methylated isoflavonoids |
| IUPAC Name | 3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-3,4-dihydro-2H-chromen-7-ol |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1OC)C2CC3=C(C=C(C=C3)O)OC2)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1OC)C2CC3=C(C=C(C=C3)O)OC2)O)C |
| InChI | InChI=1S/C21H24O4/c1-13(2)4-7-18-19(23)9-8-17(21(18)24-3)15-10-14-5-6-16(22)11-20(14)25-12-15/h4-6,8-9,11,15,22-23H,7,10,12H2,1-3H3 |
| InChI Key | ZEJRFMCOSHZBRD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O4 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 4.90 |
| 4',7-Dihydroxy-2'-methoxy-3'-prenylisoflavan |
| CHEBI:175318 |
| LMPK12080007 |
| 3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-3,4-dihydro-2H-chromen-7-ol |
| 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 | 99.68% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.55% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.46% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.45% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.58% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.03% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.21% | 98.95% |
| CHEMBL236 | P41143 | Delta opioid receptor | 89.59% | 99.35% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.48% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.89% | 99.15% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.94% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.85% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.08% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.90% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.69% | 89.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.35% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.09% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.51% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.16% | 93.99% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.73% | 91.19% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.73% | 96.39% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.24% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.99% | 85.14% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.93% | 93.10% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.70% | 85.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.40% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.16% | 96.95% |
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.
| Vigna unguiculata |
| PubChem | 44257507 |
| LOTUS | LTS0079571 |
| wikiData | Q105373336 |