(3S)-3-(2-hydroxy-4-methoxyphenyl)-8-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-7-ol
| Internal ID | bed58090-b774-47f7-bb4e-13937003b443 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids |
| IUPAC Name | (3S)-3-(2-hydroxy-4-methoxyphenyl)-8-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-7-ol |
| SMILES (Canonical) | COC1=CC(=C(C=C1)C2CC3=C(C(=C(C=C3)O)CC4=C(C5=CC(=C(C=C5O4)OC)O)C6=CC=CC=C6)OC2)O |
| SMILES (Isomeric) | COC1=CC(=C(C=C1)[C@@H]2CC3=C(C(=C(C=C3)O)CC4=C(C5=CC(=C(C=C5O4)OC)O)C6=CC=CC=C6)OC2)O |
| InChI | InChI=1S/C32H28O7/c1-36-21-9-10-22(26(34)13-21)20-12-19-8-11-25(33)23(32(19)38-17-20)15-30-31(18-6-4-3-5-7-18)24-14-27(35)29(37-2)16-28(24)39-30/h3-11,13-14,16,20,33-35H,12,15,17H2,1-2H3/t20-/m1/s1 |
| InChI Key | MISLZMBKJVLQPK-HXUWFJFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H28O7 |
| Molecular Weight | 524.60 g/mol |
| Exact Mass | 524.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 6.50 |
| There are no found synonyms. |
![2D Structure of (3S)-3-(2-hydroxy-4-methoxyphenyl)-8-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-7-ol](https://plantaedb.com/storage/docs/compounds/2023/11/5606bfa0-860d-11ee-8f40-6d5d75285821.jpg "2D Structure of (3S)-3-(2-hydroxy-4-methoxyphenyl)-8-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-7-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.82% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.28% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.66% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.86% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.95% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.73% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.56% | 95.56% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 95.15% | 94.03% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.75% | 94.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.23% | 93.31% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.60% | 96.09% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 89.94% | 88.48% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.05% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.19% | 92.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.98% | 91.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.89% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.20% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.77% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.38% | 93.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.07% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.93% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.79% | 96.95% |
| CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 82.80% | 95.71% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.42% | 97.93% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.20% | 93.04% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.75% | 96.39% |
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.
| Dalbergia nitidula |
| Fissistigma oldhamii |
| PubChem | 10052515 |
| LOTUS | LTS0241662 |
| wikiData | Q105162514 |