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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000594

3,5-Di-O-caffeoylquinic acid methyl ester

Formula: C26H26O12  |  Mol. Weight: 530.50 g/mol

IUPAC: methyl (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylate

Overview

Molecular Formula C26H26O12
Molecular Weight 530.50 g/mol
Canonical SMILES COC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy

Therapeutics & Targets