(2R)-2-(3,4-dimethoxyphenyl)-7-hydroxy-8-[2-methoxy-5-[(3R)-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl]phenyl]-2,3-dihydrochromen-4-one
| Internal ID | d079a4f5-701b-4a16-a976-569704459c48 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 7-O-methylated isoflavonoids |
| IUPAC Name | (2R)-2-(3,4-dimethoxyphenyl)-7-hydroxy-8-[2-methoxy-5-[(3R)-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl]phenyl]-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C(=O)C(CO2)C3=CC(=C(C=C3)OC)C4=C(C=CC5=C4OC(CC5=O)C6=CC(=C(C=C6)OC)OC)O |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C(=O)[C@@H](CO2)C3=CC(=C(C=C3)OC)C4=C(C=CC5=C4O[C@H](CC5=O)C6=CC(=C(C=C6)OC)OC)O |
| InChI | InChI=1S/C34H30O9/c1-38-20-7-8-22-30(15-20)42-17-24(33(22)37)18-5-11-27(39-2)23(13-18)32-25(35)10-9-21-26(36)16-29(43-34(21)32)19-6-12-28(40-3)31(14-19)41-4/h5-15,24,29,35H,16-17H2,1-4H3/t24-,29+/m0/s1 |
| InChI Key | OLXBZSNKHRWPMQ-PWUYWRBVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H30O9 |
| Molecular Weight | 582.60 g/mol |
| Exact Mass | 582.18898253 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of (2R)-2-(3,4-dimethoxyphenyl)-7-hydroxy-8-[2-methoxy-5-[(3R)-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl]phenyl]-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/8b5892a0-85fd-11ee-afe2-1586cbbc6c26.jpg "2D Structure of (2R)-2-(3,4-dimethoxyphenyl)-7-hydroxy-8-[2-methoxy-5-[(3R)-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl]phenyl]-2,3-dihydrochromen-4-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 | 99.10% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.87% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.41% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.34% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.78% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.88% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.88% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.79% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.18% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.50% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.37% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.23% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.94% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.44% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.84% | 98.75% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.88% | 86.92% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.51% | 99.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.59% | 99.23% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.25% | 88.48% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.67% | 96.21% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 84.64% | 96.86% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.72% | 97.14% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.01% | 82.67% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.84% | 91.19% |
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.
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| There are no matching plants. |
| PubChem | 162962536 |
| LOTUS | LTS0086575 |
| wikiData | Q105194184 |