TRICYCLODEHYDROISOHUMULONE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 442926
Name
TRICYCLODEHYDROISOHUMULONE
IUPAC name
(3aS,5aR,7R,8aS)-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([C@]23C[C@@H](C([C@H]2CC(=O)[C@@]3(C1=O)O)(C)C)C(=C)C)O
Molecular formula
C21H28O5
Molecular weight
360.45 g/mol
Monoisotopic mass
360.1937 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Humulus lupulus L. | fruit | - |
Jeffery B. Harborne and H. Baxter, eds. 1983. Phytochemical Dictionary. A Handbook of Bioactive Compounds from Plants. Taylor & Frost, London. 791 pp.
|