Compound Identification
SMILES
CCOC(CC(C(C)NCC1=CC2=CC=CC=C2S1)C1=CC=C(C=C1)C#N)OCC
InChIKey
InChIKey=LAFDCRUYOKLTOO-UHFFFAOYSA-N
Formula
C25H30N2O2S
Mass
422.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Bicyclic 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
Bicyclic monoterpenoids
Alternative Parents
Aromatic monoterpenoids Amphetamines and derivatives Phenylpropanes 1-benzothiophenes Benzonitriles 2,3,5-trisubstituted thiophenes Aralkylamines Heteroaromatic compounds Nitriles Dialkylamines Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amphetamine or derivatives - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - 1-benzothiophene - Benzothiophene - Phenylpropane - Benzonitrile - 2,3,5-trisubstituted thiophene - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Acetal - Nitrile - Carbonitrile - Secondary aliphatic amine - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
External Descriptors
Not available