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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020246

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methoxy-

Formula: C22H22O11  |  Mol. Weight: 462.40 g/mol

IUPAC: 2-(3,4-dihydroxyphenyl)-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Overview

Molecular Formula C22H22O11
Molecular Weight 462.40 g/mol
Canonical SMILES COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy