5,7-dihydroxy-2-[4-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]chromen-4-one
| Internal ID | bbef8f6d-63c7-43a0-86d2-8aa90fc34582 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | 5,7-dihydroxy-2-[4-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]chromen-4-one |
| SMILES (Canonical) | COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O |
| SMILES (Isomeric) | COC1=C(C(=C2C(=O)C[C@H](OC2=C1)C3=CC=C(C=C3)O)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O |
| InChI | InChI=1S/C31H22O10/c1-38-27-14-26-29(22(36)13-24(41-26)15-2-6-17(32)7-3-15)30(37)31(27)39-19-8-4-16(5-9-19)23-12-21(35)28-20(34)10-18(33)11-25(28)40-23/h2-12,14,24,32-34,37H,13H2,1H3/t24-/m0/s1 |
| InChI Key | UDOPUTXQVBNOLI-DEOSSOPVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H22O10 |
| Molecular Weight | 554.50 g/mol |
| Exact Mass | 554.12129689 g/mol |
| Topological Polar Surface Area (TPSA) | 152.00 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 5,7-dihydroxy-2-[4-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/ed24da00-865c-11ee-ba4c-afa727848d6d.jpg "2D Structure of 5,7-dihydroxy-2-[4-[[(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-6-yl]oxy]phenyl]chromen-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 | 99.44% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 98.20% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 97.52% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.39% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 95.59% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 94.87% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.77% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.00% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.94% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.33% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.66% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.58% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.13% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.65% | 86.33% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 90.30% | 88.48% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.79% | 96.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.41% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.21% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.59% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.59% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.67% | 95.89% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 86.40% | 98.35% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.69% | 86.92% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.61% | 96.12% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.15% | 92.68% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.64% | 95.89% |
| CHEMBL4630 | O14757 | Serine/threonine-protein kinase Chk1 | 83.60% | 97.03% |
| CHEMBL5284 | Q96RR4 | CaM-kinase kinase beta | 81.66% | 89.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.19% | 98.75% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.67% | 95.53% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.34% | 95.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.02% | 97.14% |
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 willdenowii |
| PubChem | 10415255 |
| LOTUS | LTS0230158 |
| wikiData | Q105270454 |