procyanidin B5

Also known as Epicatechin(4b->6)epicatechin, EC-(4b,6)-EC, Epicatechin-(4beta->6)-epicatechin, Proanthocyanidin B5, Procyanidin dimer B5, Procyanidol B5

chemical compound

Chemical data

Formula: C30H26O12
Molecular weight: 578.5 g/mol
IUPAC name: (2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
SMILES: C1[C@H]([C@H](OC2=C1C(=C(C(=C2)O)[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O
InChIKey: GMISZFQPFDAPGI-CVJZBMGUSA-N
XLogP: 2.4
Polar surface area: 221 Å²
H-bond donors: 10
H-bond acceptors: 12
Formal charge: 0

via PubChem

Drug data · ChEMBL

Molecule type: Small molecule

via ChEMBL · EBI

Wikidata facts

Subclass of: procyanidin
Mass: 578.142426

Show 4 more facts

chemical formula: C₃₀H₂₆O₁₂
found in taxon: Cinnamomum verum
isomeric SMILES: C1[C@H]([C@H](OC2=CC(=C(C(=C21)O)[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O
canonical SMILES: C1C(C(OC2=CC(=C(C(=C21)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O

Sources (2)

via Wikidata · CC0