Compound Identification
SMILES
C[C@@H]1C(=O)C[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CC\C(C)=C\C(O)=O
InChIKey
InChIKey=HWCYFTKMERSBHI-ULXLJDAISA-N
Formula
C20H30O3
Mass
318.457
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- 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
Colensane and clerodane diterpenoids
Alternative Parents
Medium-chain fatty acids Methyl-branched fatty acids Unsaturated fatty acids Cyclic ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Clerodane diterpenoid - Medium-chain fatty acid - Branched fatty acid - Methyl-branched fatty acid - Unsaturated fatty acid - Fatty acyl - Fatty acid - Cyclic ketone - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - 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