Compound Identification
SMILES
CC1CCC2(C)C(CCC(O)C2=C)C1(C)CC(=O)C(=C)CC(O)=O
InChIKey
InChIKey=AXFOKPPCLGXPNK-UHFFFAOYSA-N
Formula
C20H30O4
Mass
334.456
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Diterpenoids
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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
Colensane and clerodane diterpenoids
Alternative Parents
Medium-chain keto acids and derivatives Carbocyclic fatty acids Gamma-keto acids and derivatives Hydroxy fatty acids Branched fatty acids Unsaturated fatty acids Alpha-branched alpha,beta-unsaturated ketones Acryloyl compounds Enones Secondary alcohols Ketones Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Clerodane diterpenoid - Carbocyclic fatty acid - Medium-chain keto acid - Gamma-keto acid - Branched fatty acid - Hydroxy fatty acid - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Unsaturated fatty acid - Keto acid - Acryloyl-group - Alpha,beta-unsaturated ketone - Cyclic alcohol - Enone - Secondary alcohol - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.
External Descriptors
Not available