Compound Identification
SMILES
CC1=CCCC(C)(O)C(O)CC2C(CC(C)=CCC1)OC(=O)C2=C
InChIKey
InChIKey=HZAPTPBMBOIGCM-UHFFFAOYSA-N
Formula
C20H30O4
Mass
334.456
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
-
Level 5
Diterpene lactones
- Level 6 Cembranolides
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Level 5
Diterpene lactones
-
Subclass
Terpene lactones
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Diterpene lactones
Direct Parent
Cembranolides
Alternative Parents
Cembrane diterpenoids Gamma butyrolactones Tertiary alcohols Oxolanes Enoate esters Secondary alcohols 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cembranolide-skeleton - Cembrane diterpenoid - Diterpenoid - Gamma butyrolactone - Oxolane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - 1,2-diol - Carboxylic acid ester - Lactone - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cembranolides. These are diterpenoids with a structure based on a cembrane skeleton fused to a lactone ring (5- or 6-membered).
External Descriptors
Not available