2-(4-hydroxy-2-methoxyphenyl)-4-(4-hydroxyphenyl)-6-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]chromen-7-one
| Internal ID | a788f77a-56b1-4b80-9909-8e2b3d06c18c |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Pyranoisoflavonoids |
| IUPAC Name | 2-(4-hydroxy-2-methoxyphenyl)-4-(4-hydroxyphenyl)-6-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]chromen-7-one |
| SMILES (Canonical) | COC1=CC2=C(CC(CO2)C3=CC4=C(C=C(OC4=CC3=O)C5=C(C=C(C=C5)O)OC)C6=CC=C(C=C6)O)C=C1 |
| SMILES (Isomeric) | COC1=CC2=C(C[C@H](CO2)C3=CC4=C(C=C(OC4=CC3=O)C5=C(C=C(C=C5)O)OC)C6=CC=C(C=C6)O)C=C1 |
| InChI | InChI=1S/C32H26O7/c1-36-23-9-5-19-11-20(17-38-29(19)13-23)26-14-27-25(18-3-6-21(33)7-4-18)15-31(39-32(27)16-28(26)35)24-10-8-22(34)12-30(24)37-2/h3-10,12-16,20,33-34H,11,17H2,1-2H3/t20-/m1/s1 |
| InChI Key | QNABAPGIAOBSPN-HXUWFJFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H26O7 |
| Molecular Weight | 522.50 g/mol |
| Exact Mass | 522.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of 2-(4-hydroxy-2-methoxyphenyl)-4-(4-hydroxyphenyl)-6-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/d9ffb1a0-860b-11ee-b248-c3761803ae2f.jpg "2D Structure of 2-(4-hydroxy-2-methoxyphenyl)-4-(4-hydroxyphenyl)-6-[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]chromen-7-one")
| 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 | 98.66% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.20% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.23% | 94.00% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 94.08% | 96.09% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 93.44% | 98.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.42% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.38% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.35% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.07% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 92.01% | 93.31% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.54% | 99.15% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.05% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.89% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.56% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.33% | 89.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 88.61% | 95.12% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 88.20% | 95.53% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.06% | 95.78% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.46% | 82.67% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.38% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.12% | 90.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.28% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.18% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.11% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.80% | 85.14% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.33% | 96.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.34% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.25% | 99.23% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.10% | 92.94% |
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 retusa |
| PubChem | 636941 |
| LOTUS | LTS0052120 |
| wikiData | Q105224289 |