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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017752

4,5-Di-O-caffeoyl-1,3-di-O-coumaroylquinic acid

Formula: C43H36O16  |  Mol. Weight: 808.70 g/mol

IUPAC: (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-bis[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy]cyclohexane-1-carboxylic acid

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Overview

Molecular Formula C43H36O16
Molecular Weight 808.70 g/mol
Canonical SMILES C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC=C(C=C2)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)OC(=O)C=CC5=CC=C(C=C5)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy