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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020513

Cassiamin A

Formula: C30H18O9  |  Mol. Weight: 522.50 g/mol

IUPAC: 2-(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)-1,6,8-trihydroxy-3-methylanthracene-9,10-dione

Overview

Molecular Formula C30H18O9
Molecular Weight 522.50 g/mol
Canonical SMILES CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)C(=O)C5=C(C4=O)C(=CC(=C5)O)O)O)O)C(=O)C6=C(C2=O)C=CC=C6O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy