4-DEOXYHUMULONE

Structure

2D structure of 4-DEOXYHUMULONE
2D structure
Drag to rotate, scroll to zoom
3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6450808

Names and identifiers

Name

4-DEOXYHUMULONE

Also reported as

DEOXYHUMULONE

IUPAC name

3-methyl-1-(2,4,6-trihydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl)butan-1-one

SMILES

CC(C)CC(=O)C1=C(C(=C(C(=C1O)CC=C(C)C)O)CC=C(C)C)O

General information

Molecular formula

C21H30O4

Molecular weight

346.47 g/mol

Monoisotopic mass

346.2144 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Humulus lupulus L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
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.