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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026512

Ismailin

Formula: C31H20O9  |  Mol. Weight: 536.50 g/mol

IUPAC: 5-hydroxy-2,3-bis(4-hydroxy-5-methyl-2-oxochromen-3-yl)-7-methylnaphthalene-1,4-dione

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Overview

Molecular Formula C31H20O9
Molecular Weight 536.50 g/mol
Canonical SMILES CC1=C2C(=CC=C1)OC(=O)C(=C2O)C3=C(C(=O)C4=C(C3=O)C=C(C=C4O)C)C5=C(C6=C(C=CC=C6OC5=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy