Compound Identification
SMILES
C[C@H]1CCC23[C@@H](C)CC[C@H]2[C@@H]2[C@@](C)(C[C@H](O)[C@H](O)[C@@](C)(O)CO)CC[C@]2(C)C=C13
InChIKey
InChIKey=PTEFDUPVJURSMS-SYACEZSUSA-N
Formula
C25H42O4
Mass
406.607
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
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
Fatty alcohols Tertiary alcohols Secondary alcohols 1,2-diols Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
11-noriridane monoterpenoid - Fatty alcohol - Fatty acyl - Tertiary alcohol - Secondary alcohol - 1,2-diol - Polyol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic homopolycyclic 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