2-[2-[(2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-8-yl]-3,4-dihydroxyphenyl]-5,7-dihydroxychromen-4-one
| Internal ID | bddf6a7e-2551-4d5e-947b-c113da4f68e3 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | 2-[2-[(2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-8-yl]-3,4-dihydroxyphenyl]-5,7-dihydroxychromen-4-one |
| SMILES (Canonical) | C1C(OC2=C(C(=CC(=C2C1=O)O)O)C3=C(C=CC(=C3O)O)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)C6=CC(=C(C=C6)O)O |
| SMILES (Isomeric) | C1[C@@H](OC2=C(C(=CC(=C2C1=O)O)O)C3=C(C=CC(=C3O)O)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)C6=CC(=C(C=C6)O)O |
| InChI | InChI=1S/C30H20O12/c31-12-6-17(35)26-20(38)10-23(41-24(26)7-12)13-2-4-15(33)29(40)25(13)28-19(37)8-18(36)27-21(39)9-22(42-30(27)28)11-1-3-14(32)16(34)5-11/h1-8,10,22,31-37,40H,9H2/t22-/m1/s1 |
| InChI Key | WUDPVMQEWVSREL-JOCHJYFZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H20O12 |
| Molecular Weight | 572.50 g/mol |
| Exact Mass | 572.09547607 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 2-[2-[(2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-8-yl]-3,4-dihydroxyphenyl]-5,7-dihydroxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/c6f03d10-8504-11ee-8873-17ce1fa59d22.jpg "2D Structure of 2-[2-[(2R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-8-yl]-3,4-dihydroxyphenyl]-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 | 99.64% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.44% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.83% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 95.91% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.64% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.20% | 99.15% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.83% | 96.12% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 92.49% | 85.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.92% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.63% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.68% | 96.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.78% | 90.71% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 87.47% | 91.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.21% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.60% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.78% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.74% | 90.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.66% | 96.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.21% | 93.40% |
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.
| Mnium hornum |
| PubChem | 163054611 |
| LOTUS | LTS0123158 |
| wikiData | Q105312978 |