ISOHUMULONE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11175902
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
Molecular formula
C21H30O5
Molecular weight
362.47 g/mol
Monoisotopic mass
362.2093 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| 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.
|