4-[7-hydroxy-6-(1-hydroxy-2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
| Internal ID | 5724a3ae-3ed3-4d0e-a116-9e50f1b29dfc |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanols |
| IUPAC Name | 4-[7-hydroxy-6-(1-hydroxy-2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol |
| SMILES (Canonical) | CC(CO)(C=C)C1=C(C=C2C(=C1)CC(CO2)C3=C(C=C(C=C3)O)O)O |
| SMILES (Isomeric) | CC(CO)(C=C)C1=C(C=C2C(=C1)CC(CO2)C3=C(C=C(C=C3)O)O)O |
| InChI | InChI=1S/C20H22O5/c1-3-20(2,11-21)16-7-12-6-13(10-25-19(12)9-18(16)24)15-5-4-14(22)8-17(15)23/h3-5,7-9,13,21-24H,1,6,10-11H2,2H3 |
| InChI Key | QOZHPHRDTAIBDR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H22O5 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 4-[7-hydroxy-6-(1-hydroxy-2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-7-hydroxy-6-1-hydroxy-2-methylbut-3-en-2-yl-34-dihydro-2h-chromen-3-ylbenzene-13-diol.jpg "2D Structure of 4-[7-hydroxy-6-(1-hydroxy-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 | 97.49% | 91.11% |
| CHEMBL236 | P41143 | Delta opioid receptor | 96.65% | 99.35% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.15% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.71% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.89% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.88% | 96.09% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 90.53% | 83.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.17% | 95.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.52% | 95.89% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.34% | 97.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.92% | 91.49% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 88.89% | 97.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.76% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.64% | 99.17% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 87.06% | 81.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.46% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.40% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.38% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.01% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.97% | 94.45% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.62% | 85.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.63% | 90.93% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.23% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.21% | 89.62% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.30% | 90.24% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.51% | 93.40% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.31% | 93.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.30% | 91.07% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 80.01% | 94.01% |
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 | 10065969 |
| LOTUS | LTS0268728 |
| wikiData | Q105225234 |