Compound Identification
SMILES
OC[C@@H]1CC(=O)[C@@H](CCOCC2=CC=CC=C2)[C@@H]1CC1CCCCO1
InChIKey
InChIKey=MQIFYWQURJQRMI-UMQXSMKFSA-N
Formula
C21H30O4
Mass
346.467
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
Monocyclic monoterpenoids Aromatic monoterpenoids Benzylethers Oxanes Cyclic ketones Oxacyclic compounds Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aromatic monoterpenoid - 11-noriridane monoterpenoid - Monocyclic monoterpenoid - Benzylether - Monocyclic benzene moiety - Oxane - Benzenoid - Ketone - Cyclic ketone - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Organic oxygen compound - Aromatic heteromonocyclic 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