(-)-Catechin
Representations & DB's id
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| ChEBI: | CHEBI:33992 | |
|---|---|---|
| ChEMBL: | CHEMBL200715 | |
| PubChem: | 73160 | |
| IUPAC: | (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | |
| Standard InChI: | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1 | |
| Standard InChI Key: | PFTAWBLQPZVEMU-HIFRSBDPSA-N | |
| SMILES: | Oc1cc2O[C@@H](c3ccc(c(c3)O)O)[C@@H](Cc2c(c1)O)O | |
Molecular propeties
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| AlogP: | 1.55 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 290.08 | |
| Topological polar surface area: | 110 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 15 | |