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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027984

alpha-Methyl-n-butylshikonin

Formula: C21H28O5  |  Mol. Weight: 360.40 g/mol

IUPAC: 3-butyl-5,8-dihydroxy-3-[(1S)-1-hydroxy-4-methylpent-3-enyl]-2-methyl-2H-naphthalene-1,4-dione

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Overview

Molecular Formula C21H28O5
Molecular Weight 360.40 g/mol
Canonical SMILES CCCCC1(C(C(=O)C2=C(C=CC(=C2C1=O)O)O)C)C(CC=C(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy