Reynoutrin
Representations & DB's id
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| ChEBI: | CHEBI:69456 | |
|---|---|---|
| ChEMBL: | CHEMBL488198 | |
| PubChem: | 5320861 | |
| IUPAC: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one | |
| Standard InChI: | InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17-,20+/m1/s1 | |
| Standard InChI Key: | PZZRDJXEMZMZFD-BWYUNELBSA-N | |
| SMILES: | Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)c1ccc(c(c1)O)O | |
Molecular propeties
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| AlogP: | 0.1 | |
|---|---|---|
| Hydrogen bonds acceptors: | 11 | |
| Hydrogen bonds donors: | 7 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 434.08 | |
| Topological polar surface area: | 186 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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