Compound Identification
SMILES
CC1(C)CC[C@]2(CC3=CC=C(Cl)C=C3)O[C@]12C1(CO)CCCCC1
InChIKey
InChIKey=AHPOUKDVJZQQBG-RTWAWAEBSA-N
Formula
C21H29ClO2
Mass
348.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Monoterpenoids
- Level 5 Iridoids and derivatives
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Subclass
Monoterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Iridoids and derivatives
Alternative Parents
Bicyclic monoterpenoids Aromatic monoterpenoids Chlorobenzenes Oxanes Aryl chlorides Oxacyclic compounds Epoxides Dialkyl ethers Primary alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aromatic monoterpenoid - Bicyclic monoterpenoid - 11-noriridane monoterpenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxane - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Oxacycle - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.
External Descriptors
Not available