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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024184

Catechin(4a->6) epicatechin

Formula: C30H26O12  |  Mol. Weight: 578.50 g/mol

IUPAC: (3R,4R)-3-(3,4-dihydroxyphenyl)-7-[(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-1H-isochromene-4,6,8-triol

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Overview

Molecular Formula C30H26O12
Molecular Weight 578.50 g/mol
Canonical SMILES C1C2=C(C(=C(C=C2C(C(O1)C3=CC(=C(C=C3)O)O)O)O)C4C(C(OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy