2-[4-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one
| Internal ID | 09cc3cce-4702-4d99-8093-9844a35d709a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | 2-[4-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O |
| SMILES (Isomeric) | C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O |
| InChI | InChI=1S/C30H20O10/c31-16-8-20(34)29-22(36)12-24(39-27(29)10-16)14-1-4-18(5-2-14)38-26-7-15(3-6-19(26)33)25-13-23(37)30-21(35)9-17(32)11-28(30)40-25/h1-12,25,31-35H,13H2/t25-/m0/s1 |
| InChI Key | HVWCBEZCBZHDBC-VWLOTQADSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H20O10 |
| Molecular Weight | 540.50 g/mol |
| Exact Mass | 540.10564683 g/mol |
| Topological Polar Surface Area (TPSA) | 163.00 Ų |
| XlogP | 5.00 |
| There are no found synonyms. |
![2D Structure of 2-[4-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2aa69290-86fd-11ee-97d2-7da3507bf874.jpg "2D Structure of 2-[4-[5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-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 | 99.50% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 98.38% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 97.52% | 96.12% |
| CHEMBL3194 | P02766 | Transthyretin | 97.51% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 95.97% | 95.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.62% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.51% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.90% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.93% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 93.30% | 86.92% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 93.12% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.08% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.29% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.71% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.25% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.61% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.46% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.69% | 86.33% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 86.25% | 88.48% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.48% | 95.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.16% | 99.17% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.17% | 96.00% |
| CHEMBL4531 | P17931 | Galectin-3 | 80.50% | 96.90% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.09% | 96.09% |
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.
| Ochna gamblei |
| Ochna obtusata |
| Plectranthus punctatus subsp. edulis |
| PubChem | 162898877 |
| LOTUS | LTS0069578 |
| wikiData | Q105016895 |