Leucocyanidin
Basic information
- CAS
27015-21-0- Standard SMILES
Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2O- InChIKey
SBZWTSHAFILOTE-UHFFFAOYSA-N- Molecular formula
- C15H14O7
- Average molar mass
- 306.27 g/mol
- Monoisotopic mass
- 306.07395278
Overview
Leucocyanidin is a leucoanthocyanidin.
Names & identifiers
- Preferred name
- Leucocyanidin
- IUPAC
- 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
Names & synonyms
LeucocyanidinLeucocyanidolProcyanidolResivitLeukocyanidineLeucoanthocyanidol2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol3,4-CyanidiolCHEBI:157583,3',4,4',5,7-flavanhexanol3,3',4,4',5,7-Flavanhexol2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol
Show more names
DTXSID80861994flavanhexanolleucodyanidolRefChem:9246662H-1-Benzopyran-3,4,5,7-tetrol, 2-(3,4-dihydroxyphenyl)-3,4-dihydroDTXCID1015270343,3',4,4',5,7-hexahydroflavane5,7,3,4-tetrahydroxyflavan-3',4'-diol
Database identifiers
- CAS
27015-21-0- PubChem CID
- 71629
- ChEMBL
CHEMBL123809- ChEBI
CHEBI:15758- Nikkaji
- J6.163H
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]
LogP0.95
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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