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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015192

trans-Isohumulone

Formula: C21H30O5  |  Mol. Weight: 362.50 g/mol

IUPAC: (4S,5S)-3,4-dihydroxy-2-(3-methylbutanoyl)-5-(3-methylbut-2-enyl)-4-(4-methylpent-3-enoyl)cyclopent-2-en-1-one

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Overview

Molecular Formula C21H30O5
Molecular Weight 362.50 g/mol
Canonical SMILES CC(C)CC(=O)C1=C(C(C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy