4-[(3S)-7-hydroxy-6-[(2R)-3-methylbut-3-en-2-yl]-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
| Internal ID | 672e357c-df67-4fc4-9b1b-9d18185aafc9 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanols |
| IUPAC Name | 4-[(3S)-7-hydroxy-6-[(2R)-3-methylbut-3-en-2-yl]-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol |
| SMILES (Canonical) | CC(C1=C(C=C2C(=C1)CC(CO2)C3=C(C=C(C=C3)O)O)O)C(=C)C |
| SMILES (Isomeric) | C[C@@H](C1=C(C=C2C(=C1)C[C@H](CO2)C3=C(C=C(C=C3)O)O)O)C(=C)C |
| InChI | InChI=1S/C20H22O4/c1-11(2)12(3)17-7-13-6-14(10-24-20(13)9-19(17)23)16-5-4-15(21)8-18(16)22/h4-5,7-9,12,14,21-23H,1,6,10H2,2-3H3/t12-,14-/m1/s1 |
| InChI Key | UGWHNVINPXBBMX-TZMCWYRMSA-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-[(3S)-7-hydroxy-6-[(2R)-3-methylbut-3-en-2-yl]-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/4-3s-7-hydroxy-6-2r-3-methylbut-3-en-2-yl-34-dihydro-2h-chromen-3-ylbenzene-13-diol.jpg "2D Structure of 4-[(3S)-7-hydroxy-6-[(2R)-3-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.73% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.37% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.38% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.36% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.50% | 94.45% |
| CHEMBL236 | P41143 | Delta opioid receptor | 91.36% | 99.35% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 89.84% | 97.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.66% | 93.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.42% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.08% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.30% | 93.40% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.21% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.07% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.81% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.06% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.53% | 95.89% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.18% | 93.10% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.64% | 93.99% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.34% | 85.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.15% | 99.15% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.72% | 97.25% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 82.41% | 99.09% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.36% | 83.10% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.42% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.91% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.32% | 94.73% |
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 | 162917544 |
| LOTUS | LTS0227421 |
| wikiData | Q105272608 |