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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013878

Methyl 4-O-galloylchlorogenate

Formula: C24H24O13  |  Mol. Weight: 520.40 g/mol

IUPAC: [(1R,2R,4S,6R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,6-dihydroxy-4-methoxycarbonylcyclohexyl] 3,4,5-trihydroxybenzoate

Overview

Molecular Formula C24H24O13
Molecular Weight 520.40 g/mol
Canonical SMILES COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy