Compound Identification
SMILES
C[C@@]12C[C@@H](O)[C@@H](O)[C@@H](CO)[C@H]1CCC(=C)[C@H]2CC(=O)C1=COC=C1
InChIKey
InChIKey=JWPAVAPOANDRMB-FYRXIQKBSA-N
Formula
C19H26O5
Mass
334.412
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
Aryl alkyl ketones Heteroaromatic compounds Furans Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Clerodane diterpenoid - Aryl ketone - Aryl alkyl ketone - Cyclic alcohol - Furan - Heteroaromatic compound - Ketone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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