Compound Identification
SMILES
CC1CCC2(C)C(CCC=C2COC(=O)c2ccc[nH]2)C1(C)CCC(C)(O)C=C
InChIKey
InChIKey=LHCIWYDYQGMDJO-UHFFFAOYSA-N
Formula
C25H37NO3
Mass
399.575
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
Pyrrole carboxylic acids and derivatives Substituted pyrroles Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Clerodane diterpenoid - Pyrrole-2-carboxylic acid or derivatives - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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