ISOHUMULONE

Structure

2D structure of ISOHUMULONE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11175902

Names and identifiers

Name

ISOHUMULONE

Also reported as

TRANS-ISOHUMULONE

IUPAC name

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

SMILES

CC(C)CC(=O)C1=C([C@@]([C@@H](C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)O

General information

Molecular formula

C21H30O5

Molecular weight

362.47 g/mol

Monoisotopic mass

362.2093 Da

Classification

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Humulus lupulus L. flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Humulus lupulus L. fruit -
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.