ISO-HUMULENE

Structure

2D structure of ISO-HUMULENE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 93090

Names and identifiers

Name

ISO-HUMULENE

IUPAC name

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

SMILES

O=C(C1(O)C(/O)=C(\C(=O)C1C/C=C(/C)C)C(=O)CC(C)C)C\C=C(/C)C

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
Senecio inaequidens DC. root -
Bohlmann, F., Ziesche, J., King, R.M., Robinson, H. (1980). Naturally occurring terpene derivatives. part 294 . seven furanoeremophilanes from three Senecio species. Phytochemistry, 19, 2675-2679