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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013714

4beta-(2-Aminoethylthio)epicatechin 3-gallate

Formula: C24H23NO10S  |  Mol. Weight: 517.50 g/mol

IUPAC: [(2R,3S,4S)-4-(2-aminoethylsulfanyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C24H23NO10S
Molecular Weight 517.50 g/mol
Canonical SMILES C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)SCCN)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy