Compound Identification
SMILES
CC(=O)OCC1=CC(O)C(CCC(C)=CCCC2(C)OC2CC1)C(C)=C
InChIKey
InChIKey=XHPIEOZMYVAMEY-UHFFFAOYSA-N
Formula
C22H34O4
Mass
362.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Diterpenoids
- Level 5 Cembrane diterpenoids
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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
Cembrane diterpenoids
Alternative Parents
Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cembrane diterpenoid - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carbonyl group - Alcohol - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cembrane diterpenoids. These are diterpenoids with a structure based a cembrane skeleton, which is characterized by the presence of an isopropyl group at C-1 and by three symmetrically disposed methyl groups a the t C-4, -8 and -12 positions.
External Descriptors
Not available