Compound Identification
SMILES
CC(=C)C1CCC(=CC1)C1OC23CCCCC2C(C#N)(C(=N)O3)C1(C#N)C#N
InChIKey
InChIKey=KQUFAKFOVZFZKS-UHFFFAOYSA-N
Formula
C22H24N4O2
Mass
376.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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Subclass
Monoterpenoids
- Level 5 Menthane monoterpenoids
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Subclass
Monoterpenoids
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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
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Menthane monoterpenoids
Alternative Parents
Ketals 1,3-dioxepanes Oxanes Oxolanes Imidoesters Oxacyclic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
P-menthane monoterpenoid - 1,3-dioxepane - Dioxepane - Ketal - Oxane - Oxolane - Imido ester - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Acetal - Cyanide - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
External Descriptors
Not available