[3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S,2'R,3R,3'R)-
| Internal ID | bba9d166-7e8b-434b-b0f7-37de40d56db3 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Biflavonoids and polyflavonoids |
| IUPAC Name | 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C5C(=C(C=C4O)O)C(=O)C(C(O5)C6=CC=C(C=C6)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C5C(=C(C=C4O)O)C(=O)C(C(O5)C6=CC=C(C=C6)O)O)O |
| InChI | InChI=1S/C30H22O11/c31-14-5-1-12(2-6-14)28-24(25(37)21-17(34)9-16(33)10-20(21)40-28)22-18(35)11-19(36)23-26(38)27(39)29(41-30(22)23)13-3-7-15(32)8-4-13/h1-11,24,27-29,31-36,39H |
| InChI Key | AFDANKUHSLVEBJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H22O11 |
| Molecular Weight | 558.50 g/mol |
| Exact Mass | 558.11621151 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of [3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S,2'R,3R,3'R)-](https://plantaedb.com/storage/docs/compounds/2023/11/2424fb90-8740-11ee-8699-39fd3945f75f.jpg "2D Structure of [3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,2',3,3'-tetrahydro-3',5,5',7,7'-pentahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2S,2'R,3R,3'R)-")
| 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 | 98.06% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.12% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.48% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.30% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.56% | 99.15% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.09% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.80% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.78% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.24% | 94.45% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 83.60% | 96.12% |
| CHEMBL3194 | P02766 | Transthyretin | 83.44% | 90.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.36% | 90.93% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.07% | 98.75% |
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.
| Garcinia kola |
| Garcinia mannii |
| Garcinia spicata |
| Garcinia thwaitesii |
| PubChem | 5317534 |
| LOTUS | LTS0189179 |
| wikiData | Q104911011 |