Compound Identification
SMILES
COC[C@@H]1[C@H]2CC\C(C)=C\CC(=O)\C(C)=C\CC\C(C)=C\[C@@H]2OC1=O
InChIKey
InChIKey=FCUMVZZBLPMWHA-DIXBMPOXSA-N
Formula
C21H30O4
Mass
346.467
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 Oxolanes Cyclic ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cembranolide-skeleton - Cembrane diterpenoid - Diterpenoid - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Carboxylic acid derivative - Oxacycle - Ether - Dialkyl ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - 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