TRICYCLO-DEHYDRO-HUMULONE

Structure

2D structure of TRICYCLO-DEHYDRO-HUMULONE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 4486115

Names and identifiers

Name

TRICYCLO-DEHYDRO-HUMULONE

IUPAC name

1,3a-dihydroxy-6,6-dimethyl-2-(3-methylbutanoyl)-7-(prop-1-en-2-yl)-5a,6,7,8-tetrahydrocyclopenta[c]pentalene-3,4(3aH,5H)-dione

SMILES

CC(C)CC(=O)C1=C(C23CC(C(C2CC(=O)C3(C1=O)O)(C)C)C(=C)C)O

General information

Molecular formula

C21H28O5

Molecular weight

360.45 g/mol

Monoisotopic mass

360.1937 Da

Classification

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

Plants with the compound

Plant Plant part Amount Reference
Humulus lupulus L. fruit 3000 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.