procyanidin C1

Also known as Cinnamtannin A1, Proanthocyanidin C1, Procyanidol C1, [Epicatechin(4b->8)]2-epicatechin, Procyanidin trimer C1, Epicatechin-(4beta->8)-epicatechin-(4beta->8)-epicatechin, EC-(4b,8)-EC-(4b,8)-EC, [Epicatechin-(4beta->8)]2-epicatechin

chemical compound

In the Vinony graph

Within Vinony's link graph, procyanidin C1 is referenced by 23 other articles, and connects out to cinnamon, digital object identifier and International Standard Serial Number.

It is catalogued under topics including Natural phenol trimers and Procyanidins.

Its subject is documented across 7 Wikipedia language editions.

Chemical data

Formula: C45H38O18
Molecular weight: 866.8 g/mol
IUPAC name: (2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,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
SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@@H]5[C@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
InChIKey: MOJZMWJRUKIQGL-XILRTYJMSA-N
XLogP: 3.3
Polar surface area: 331 Å²
H-bond donors: 15
H-bond acceptors: 18
Formal charge: 0

via PubChem

Drug data · ChEMBL

Molecule type: Small molecule

via ChEMBL · EBI

Wikidata facts

Subclass of: procyanidin
Mass: 866.205814

Show 5 more facts

chemical formula: C₄₅H₃₈O₁₈
found in taxon: Malus domestica
canonical SMILES: C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
isomeric SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=C(C(=CC(=C34)O)O)[C@@H]5[C@H]([C@H](OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
has characteristic: bitterness

Sources (2)

via Wikidata · CC0