Proanthocyanidin B4
Basic information
- CAS
51196-38-4- Standard SMILES
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2- InChIKey
XFZJEEAOWLFHDH-PWWSGAPCSA-N- Molecular formula
- C30H26O12
- Average molar mass
- 578.5 g/mol
- Monoisotopic mass
- 578.14242626
Overview
from grape seeds prevent doxorubicin-induced toxicity in cardiomyocytes; structure in first source
Names & identifiers
- Preferred name
- Proanthocyanidin B4
- IUPAC
- (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Names & synonyms
Proanthocyanidin B4DTXSID20131545651196-38-4RefChem:176099DTXCID201745362(2R,2'R,3S,3'R,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-[4,8'-bi-1-benzopyran]-3,3',5,5',7,7'-hexol
Database identifiers
- CAS
51196-38-4- PubChem CID
- 9959902
- DTXSID
DTXSID201315456- Nikkaji
- J912.638D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 925
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Compound notes
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