Compound Identification
SMILES
[H]\C(C)=C(/C)C(=O)C[C@]1([H])C[C@]([H])(C)[C@@]2(C)CC3=C(OC=C3C)[C@]([H])(O)[C@@]2([H])C1
InChIKey
InChIKey=JPCWILYMYBDXDZ-RZAWNBQTSA-N
Formula
C21H30O3
Mass
330.468
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
Alternative Parents
Naphthofurans Benzofurans Alpha-branched alpha,beta-unsaturated ketones Heteroaromatic compounds Furans Enones Acryloyl compounds Secondary alcohols Ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Furoeremophilane sesquiterpenoid - Naphthofuran - Benzofuran - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Heteroaromatic compound - Furan - Alpha,beta-unsaturated ketone - Ketone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.
External Descriptors
Not available