Compound Identification
SMILES
C[C@H]1CCCC2=C1C(C)=C1C(C)=C(OC1=C2O)C(C)=O
InChIKey
InChIKey=FEWUDLAFLORFJK-QMMMGPOBSA-N
Formula
C17H20O3
Mass
272.344
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 Tetralins Benzofurans Aryl alkyl ketones Phenols Heteroaromatic compounds Furans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Furoeremophilane sesquiterpenoid - Naphthofuran - Tetralin - Benzofuran - Aryl ketone - Aryl alkyl ketone - Phenol - Benzenoid - Heteroaromatic compound - Furan - Ketone - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - 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