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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029330

Neoisoliquritin

Formula: C21H22O9  |  Mol. Weight: 418.40 g/mol

IUPAC: (E)-1-(2,4-dihydroxyphenyl)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one

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Overview

Molecular Formula C21H22O9
Molecular Weight 418.40 g/mol
Canonical SMILES C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy