4-[(3R)-7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
| Internal ID | 20f8daea-e141-4402-8a5d-2e35cb8f8a10 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanols |
| IUPAC Name | 4-[(3R)-7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol |
| SMILES (Canonical) | CC(C)(C=C)C1=C(C=C2C(=C1)CC(CO2)C3=C(C=C(C=C3)O)O)O |
| SMILES (Isomeric) | CC(C)(C=C)C1=C(C=C2C(=C1)C[C@@H](CO2)C3=C(C=C(C=C3)O)O)O |
| InChI | InChI=1S/C20H22O4/c1-4-20(2,3)16-8-12-7-13(11-24-19(12)10-18(16)23)15-6-5-14(21)9-17(15)22/h4-6,8-10,13,21-23H,1,7,11H2,2-3H3/t13-/m0/s1 |
| InChI Key | WZKRLNSIPVUZHV-ZDUSSCGKSA-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. |
![2D Structure of 4-[(3R)-7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-3r-7-hydroxy-6-2-methylbut-3-en-2-yl-34-dihydro-2h-chromen-3-ylbenzene-13-diol.jpg "2D Structure of 4-[(3R)-7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol")
| 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 | 96.81% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.46% | 98.95% |
| CHEMBL236 | P41143 | Delta opioid receptor | 95.55% | 99.35% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 94.43% | 83.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.83% | 93.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.17% | 91.49% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.51% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.48% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.31% | 95.56% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 90.49% | 81.29% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.89% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.85% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.78% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.11% | 94.73% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.96% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.81% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.01% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.99% | 89.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.87% | 97.23% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.12% | 85.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.20% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.41% | 89.62% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.40% | 90.93% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.52% | 90.24% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 80.37% | 96.12% |
| CHEMBL233 | P35372 | Mu opioid receptor | 80.23% | 97.93% |
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.
| Endosamara racemosa |
| PubChem | 14237674 |
| LOTUS | LTS0211783 |
| wikiData | Q105323283 |