5-hydroxy-2-[3-[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]-4-methoxyphenyl]-7-methoxychromen-4-one
| Internal ID | 30fc3817-9337-4dd1-937d-ffe518a483d3 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | 5-hydroxy-2-[3-[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]-4-methoxyphenyl]-7-methoxychromen-4-one |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C5C(=C4O)C(=O)CC(O5)C6=CC=C(C=C6)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)C4=C(C=C5C(=C4O)C(=O)C[C@H](O5)C6=CC=C(C=C6)O)OC |
| InChI | InChI=1S/C33H26O10/c1-39-19-11-21(35)31-22(36)13-26(43-28(31)12-19)17-6-9-24(40-2)20(10-17)30-27(41-3)15-29-32(33(30)38)23(37)14-25(42-29)16-4-7-18(34)8-5-16/h4-13,15,25,34-35,38H,14H2,1-3H3/t25-/m0/s1 |
| InChI Key | UTPREPLHMAUQPR-VWLOTQADSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H26O10 |
| Molecular Weight | 582.60 g/mol |
| Exact Mass | 582.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-2-[3-[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]-4-methoxyphenyl]-7-methoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/9cf8bd20-855e-11ee-8274-f176ca54d4be.jpg "2D Structure of 5-hydroxy-2-[3-[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]-4-methoxyphenyl]-7-methoxychromen-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.78% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.58% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.36% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.65% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.16% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.85% | 98.95% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 95.54% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.86% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 92.25% | 90.71% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.99% | 96.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.66% | 97.09% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 91.29% | 88.48% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.88% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.55% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.19% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.56% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.94% | 90.71% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 86.40% | 98.35% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.45% | 86.92% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.12% | 90.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.60% | 94.45% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 83.21% | 97.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.98% | 99.17% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.69% | 85.11% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 82.68% | 96.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.59% | 93.31% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.23% | 98.75% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 82.15% | 95.12% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.74% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.23% | 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.
| Selaginella delicatula |
| PubChem | 162999009 |
| LOTUS | LTS0189519 |
| wikiData | Q105278975 |