Compound Identification
SMILES
CC(CC(=O)C=C(C)C)[C@H]1CC[C@]2(C)[C@@H]1CCC(C)=CC2=O
InChIKey
InChIKey=CMHJRVRWFDDFCR-YEDOYLKBSA-N
Formula
C20H30O2
Mass
302.458
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
- Level 5 Sphenolobane diterpenoids
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Subclass
Diterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Sphenolobane diterpenoids
Alternative Parents
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Prenyldaucane diterpenoid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as sphenolobane diterpenoids. These are diterpenoids with a structure characterized by a sphenolobane skeleton. They possess a trans-fused hydroazulenoid skeleton as a common structural motif, but differ in configuration at C(9), where a prenyl group is attached. Sphenolobane is also considered an 'extended' daucane skeleton, with a carbon side chain appended onto the cyclopentane ring.
External Descriptors
Not available