Compound Identification
SMILES
C\C1=C/C=C(\CC\C(C=O)=C/CC[C@]2(C)O[C@H]2CC1)[C@@](C)(O)CO
InChIKey
InChIKey=QFVXFKRYGGAMLR-RKXQBWRJSA-N
Formula
C20H30O4
Mass
334.456
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
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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
Cembrane diterpenoids
Alternative Parents
Tertiary alcohols 1,2-diols Oxacyclic compounds Epoxides Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cembrane diterpenoid - Tertiary alcohol - 1,2-diol - Dialkyl ether - Oxirane - Ether - Organoheterocyclic compound - Oxacycle - Aldehyde - Alcohol - Organic oxygen compound - Organic oxide - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Aliphatic heteropolycyclic 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