Compound Identification
SMILES
COC(=O)C1CC(=O)CC(C)CCC=C(C)CCC(C(C)C)C(=O)C1S(=O)C1=CC=CC=C1
InChIKey
InChIKey=YLNQLFZDDRUOLA-UHFFFAOYSA-N
Formula
C27H38O5S
Mass
474.66
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
Phenyl sulfoxides Methyl esters Sulfoxides Cyclic ketones Sulfinyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cembrane diterpenoid - Phenyl sulfoxide - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carboxylic acid ester - Ketone - Sulfoxide - Cyclic ketone - Monocarboxylic acid or derivatives - Sulfinyl compound - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic 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