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
Thumb
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
ChemSpider
97077
ChEBI
58994
ChEMBL
CHEMBL1256783
Predicted Properties
PropertyValueSource
Water Solubility0.645 mg/mLALOGPS
logP1.02ALOGPS
logP1.8ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)9ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area110.38 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity74 m3·mol-1ChemAxon
Polarizability28.58 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon