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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012414

[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl] (E)-3-phenylprop-2-enoate

Formula: C31H28O12  |  Mol. Weight: 592.50 g/mol

IUPAC: [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl] (E)-3-phenylprop-2-enoate

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Overview

Molecular Formula C31H28O12
Molecular Weight 592.50 g/mol
Canonical SMILES COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC(=C(C=C3)O)OC4C(C(C(C(O4)CO)O)OC(=O)C=CC5=CC=CC=C5)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy