Compound Identification
SMILES
CCOC(=O)[C@]1(C)[C@@H]2CC[C@]3(C#N)[C@H](CCC4=COC=C34)[C@@]2(C)CCC1=O
InChIKey
InChIKey=LBUQQNFUIZJOEW-LQDXOGNASA-N
Formula
C22H27NO4
Mass
369.461
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
Isocopalane and spongiane diterpenoids
Alternative Parents
Steroids and steroid derivatives Heteroaromatic compounds Furans Cyclic ketones Carboxylic acid esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Spongiane diterpenoid - Steroid - Furan - Heteroaromatic compound - Carboxylic acid ester - Ketone - Cyclic ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Cyanide - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen 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