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Compound Summary

General Compound Information

Procyanidin B4

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Description

Procyanidin B4 is a proanthocyanidin obtained by the condensation of (-)-epicatechin and (+)-catechin units. It has a role as an antioxidant, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor and an antineoplastic agent. It is a proanthocyanidin and a hydroxyflavan. It derives from a (-)-epicatechin and a (+)-catechin.

Synonyms

Procyanidin B4; 29106-51-2; Procyanidol B4; (-)-procyanidin B4; Catechin-(4alpha->8)-epicatechin;

Procyanidin B4, (-)-;(2R,2'R,3S,3'R,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-[4,8'-bichroman]-3,3',5,5',7,7'-hexaol;CHEBI:27589;2OP8987K2X;(2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,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;UNII-2OP8987K2X;SCHEMBL718738;CHEMBL447373;DTXSID50183357;ZINC4098620;LMPK12030004;ZB1882;Catechin-(4.alpha.-->8)epicatechin;(4,8'-Bi-2H-1-benzopyran)-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3'4,4'-tetrahydro-, (2R-(2alpha,3beta,4alpha(2'R,3'R)))-;HY-107208;CATECHIN-(4.ALPHA.->8)-EPICATECHIN;CS-0027644;Q7247555;(+)-CATECHIN-(4.ALPHA.->8)-(-)-EPICATECHIN;(2R,2'R,3S,3'R,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol;(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chroman-8-yl]chromane-3,5,7-triol;(4,8'-BI-2H-1-BENZOPYRAN)-3,3',5,5',7,7'-HEXOL, 2,2'-BIS(3,4-DIHYDROXYPHENYL)-3,3',4,4'-TETRAHYDRO-, (2R,2'R,3S,3'R,4S)-;(4,8'-BI-2H-1-BENZOPYRAN)-3,3',5,5',7,7'-HEXOL, 2,2'-BIS(3,4-DIHYDROXYPHENYL)-3,3'4,4'-TETRAHYDRO-, (2R-(2.ALPHA.,3.BETA.,4.ALPHA.(2'R,3'R)))-;

FlavorDB ID

4222

PUBCHEM ID

147299

Molecular Weight

578.5

Molecular Formula

C30H26O12

Openeye Can Smiles

C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O

IUPAC Inchikey

XFZJEEAOWLFHDH-VUGKQVTMSA-N

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Compound Classification

Classification (Parent Nodes)

ClassyFire Ontology

Compound Quality

Quality information of this compound is not available!

Compound Toxicity and Food Additive Safety (OFAS)

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Receptors

Receptor	REFERENCE	EC50 [µM]	Effective Concentration [µM]
TAS2R5	details	Activated	133.00

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental LCMS	view	LCMS_Positive	positive