Compound Identification
SMILES
OC1C[C@H]2C=C[C@H](COCC3=CC=CC=C3)[C@H]2CO1
InChIKey
InChIKey=QCOQUBZZLXHSCW-JZWPEALZSA-N
Formula
C16H20O3
Mass
260.333
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
Bicyclic monoterpenoids Aromatic monoterpenoids Benzylethers Oxanes Hemiacetals Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Iridoid-skeleton - Aromatic monoterpenoid - Bicyclic monoterpenoid - Benzylether - Benzenoid - Oxane - Monocyclic benzene moiety - Hemiacetal - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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