(2S)-2',3,5,6',7-Pentahydroxyflavanone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL465772 | |
| PubChem: | 157633 | |
| IUPAC: | (2R,3R)-2-(2,6-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C15H12O7/c16-6-4-9(19)12-10(5-6)22-15(14(21)13(12)20)11-7(17)2-1-3-8(11)18/h1-5,14-19,21H/t14-,15+/m0/s1 | |
| Standard InChI Key: | NBQYBZYBTNQEQG-LSDHHAIUSA-N | |
| SMILES: | Oc1cc2O[C@H](c3c(O)cccc3O)[C@H](C(=O)c2c(c1)O)O | |
Molecular propeties
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| AlogP: | 1.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 304.06 | |
| Topological polar surface area: | 127 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.133 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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