Compound Identification
SMILES
COC(=O)CC(=C)C(=O)C[C@@]1(C)[C@H](C)[C@@H](O)[C@H](OC(=O)\C=C\C2=CC=CC=C2)[C@]2(C)[C@@H]1CCC=C2C
InChIKey
InChIKey=GNIIZEDYOFXUJV-GBOSTOGDSA-N
Formula
C30H38O6
Mass
494.628
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
Colensane and clerodane diterpenoids
Alternative Parents
Cinnamic acid esters Styrenes Gamma-keto acids and derivatives Fatty acid methyl esters Dicarboxylic acids and derivatives Alpha-branched alpha,beta-unsaturated ketones Methyl esters Enones Enoate esters Acryloyl compounds Secondary alcohols Ketones Cyclic alcohols and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Clerodane diterpenoid - Cinnamic acid or derivatives - Cinnamic acid ester - Gamma-keto acid - Styrene - Fatty acid ester - Fatty acid methyl ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Keto acid - Acryloyl-group - Cyclic alcohol - Enone - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Ketone - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as colensane and clerodane diterpenoids. These are diterpenoids with a structure based on the clerodane or the colensane skeleton. Clerodanes arise from labdanes by two methyl migrations.
External Descriptors
Not available