Cianidanol hydrateProduct ingredient for Cianidanol
- Name
- Cianidanol hydrate
- Drug Entry
- Cianidanol
An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.
- Accession Number
- DBSALT002721
- Structure
Structure for Cianidanol hydrate (DBSALT002721)
- Synonyms
- (+)-catechin monohydrate / (2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol monohydrate / Catechin hydrate
- UNII
- Not Available
- CAS Number
- 88191-48-4
- Weight
- Average: 308.286
Monoisotopic: 308.089602855 - Chemical Formula
- C15H16O7
- InChI Key
- OFUMQWOJBVNKLR-NQQJLSKUSA-N
- InChI
- InChI=1S/C15H14O6.H2O/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;1H2/t13-,15+;/m0./s1
- IUPAC Name
- (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol hydrate
- SMILES
- O.O[C@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C=C(O)C=C2O
- External Links
- ChemSpider
- 97077
- ChEBI
- 58994
- ChEMBL
- CHEMBL1256783
- Predicted Properties
Property Value Source Water Solubility 0.645 mg/mL ALOGPS logP 1.02 ALOGPS logP 1.8 Chemaxon logS -2.6 ALOGPS pKa (Strongest Acidic) 9 Chemaxon pKa (Strongest Basic) -3.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 110.38 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 74 m3·mol-1 Chemaxon Polarizability 28.58 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon