4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol
| Internal ID | e94e2fa7-5084-445e-a7dd-be7846390998 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanols |
| IUPAC Name | 4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-6-(2-methylbut-3-en-2-yl)benzene-1,3-diol |
| SMILES (Canonical) | CC(C)(C=C)C1=C(C=C(C(=C1)C2CC3=C(C=C(C=C3)O)OC2)O)O |
| SMILES (Isomeric) | CC(C)(C=C)C1=C(C=C(C(=C1)C2CC3=C(C=C(C=C3)O)OC2)O)O |
| InChI | InChI=1S/C20H22O4/c1-4-20(2,3)16-9-15(17(22)10-18(16)23)13-7-12-5-6-14(21)8-19(12)24-11-13/h4-6,8-10,13,21-23H,1,7,11H2,2-3H3 |
| InChI Key | QJLPMDSHSSKRRN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O4 |
| Molecular Weight | 326.40 g/mol |
| Exact Mass | 326.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 69.90 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
| 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 | 97.63% | 91.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 95.91% | 99.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.92% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.07% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.42% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.16% | 95.56% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 88.46% | 83.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.11% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.57% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.35% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.86% | 95.89% |
| CHEMBL240 | Q12809 | HERG | 86.29% | 89.76% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.59% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.74% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.48% | 99.17% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 84.41% | 81.29% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.26% | 85.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.23% | 89.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.85% | 91.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.67% | 93.56% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.60% | 97.93% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.18% | 83.57% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.80% | 90.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.07% | 89.00% |
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.
| Dalea aurea |
| Maackia tenuifolia |
| PubChem | 11859078 |
| LOTUS | LTS0023462 |
| wikiData | Q105222748 |