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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003722

(1S,3R,4R,5R)-4-(3-carboxypropanoyloxy)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-5-hydroxycyclohexane-1-carboxylic acid

Formula: C29H28O15  |  Mol. Weight: 616.50 g/mol

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

Overview

Molecular Formula C29H28O15
Molecular Weight 616.50 g/mol
Canonical SMILES C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)OC(=O)CCC(=O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy