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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018798

3-O-Caffeoyl-4-O-sinapoylquinic acid

Formula: C27H28O13  |  Mol. Weight: 560.50 g/mol

IUPAC: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,5-dihydroxy-4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

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Overview

Molecular Formula C27H28O13
Molecular Weight 560.50 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(CC(CC2OC(=O)C=CC3=CC(=C(C=C3)O)O)(C(=O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy