Compound Identification
SMILES
CCOC(=O)[C@@]1(C)C=CC[C@@]2(C)[C@H]1CC[C@]1(C#N)[C@@H]2CCC2=COC=C12
InChIKey
InChIKey=WRIAAOSOTHPSPX-OPNZPCBVSA-N
Formula
C22H27NO3
Mass
353.462
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
Isocopalane and spongiane diterpenoids
Alternative Parents
Heteroaromatic compounds Furans Carboxylic acid esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Spongiane diterpenoid - Furan - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocopalane and spongiane diterpenoids. These are diterpenoids with a structure based on the isocopalane (Tetradecahydro-1,1,4a,7,8,8a-hexamethylphenanthrene) or the 15,16-epoxyisocopalane skeleton.
External Descriptors
Not available