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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011165

Shikometabolin A

Formula: C32H28O9  |  Mol. Weight: 556.60 g/mol

IUPAC: 3,10,14,19,21-pentahydroxy-18-[(1R)-1-hydroxy-4-methylpent-3-enyl]-12-(3-methylbut-2-enyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),6,10,12,14,17,19-nonaene-5,8,16-trione

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Overview

Molecular Formula C32H28O9
Molecular Weight 556.60 g/mol
Canonical SMILES CC(=CCC1=C2C(=C(C3=C(C(=CC(=O)C3=C2O)C(CC=C(C)C)O)O)O)C4=C(C5=C(C(=O)C=CC5=O)C(=C14)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy