6-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-methoxy-4-(2-methylbut-3-en-2-yl)benzene-1,2-diol
| Internal ID | 7a3aa369-f89c-4a23-bcea-c3e02c425dbf |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 3-hydroxy,4-methoxyisoflavonoids |
| IUPAC Name | 6-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-methoxy-4-(2-methylbut-3-en-2-yl)benzene-1,2-diol |
| SMILES (Canonical) | CC(C)(C=C)C1=C(C(=C(C(=C1)C2CC3=C(C=C(C=C3)O)OC2)O)O)OC |
| SMILES (Isomeric) | CC(C)(C=C)C1=C(C(=C(C(=C1)[C@@H]2CC3=C(C=C(C=C3)O)OC2)O)O)OC |
| InChI | InChI=1S/C21H24O5/c1-5-21(2,3)16-10-15(18(23)19(24)20(16)25-4)13-8-12-6-7-14(22)9-17(12)26-11-13/h5-7,9-10,13,22-24H,1,8,11H2,2-4H3/t13-/m1/s1 |
| InChI Key | MHYXHQLWXSUAQG-CYBMUJFWSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H24O5 |
| Molecular Weight | 356.40 g/mol |
| Exact Mass | 356.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 6-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-methoxy-4-(2-methylbut-3-en-2-yl)benzene-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/6-3s-7-hydroxy-34-dihydro-2h-chromen-3-yl-3-methoxy-4-2-methylbut-3-en-2-ylbenzene-12-diol.jpg "2D Structure of 6-[(3S)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-methoxy-4-(2-methylbut-3-en-2-yl)benzene-1,2-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 | 99.44% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.29% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.01% | 96.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 91.28% | 83.57% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.26% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.38% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.68% | 95.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 87.25% | 99.35% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.92% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.64% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.01% | 89.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.53% | 97.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.42% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.77% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.44% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.16% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.82% | 100.00% |
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.
| Dermatophyllum arizonicum |
| PubChem | 163011495 |
| LOTUS | LTS0070655 |
| wikiData | Q105164428 |