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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019609

(inverted exclamation markA)-Emodin bianthrone

Formula: C30H22O8  |  Mol. Weight: 510.50 g/mol

IUPAC: (10S)-1,3,8-trihydroxy-6-methyl-10-[(9S)-2,4,5-trihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-10H-anthracen-9-one

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Overview

Molecular Formula C30H22O8
Molecular Weight 510.50 g/mol
Canonical SMILES CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC(=C5)C)O)C(=O)C6=C4C=C(C=C6O)O)C=C(C=C3O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy