BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006042

3-[3-[5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]-2-[4-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3-hydroxypropanoic acid

Formula: C30H28O13  |  Mol. Weight: 596.50 g/mol

IUPAC: 3-[3-[5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]-2-[4-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]-3-hydroxypropanoic acid

Overview

Molecular Formula C30H28O13
Molecular Weight 596.50 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)C(C(C(=O)O)OC3=C(C=C(C=C3)C=CC(=O)O)OC)O)OC)O)C=CC(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy