Compound Identification
SMILES
CC1=CC=C(CN2N=C(C(=O)NCC3CCC4CC3C4(C)C)C3=C2C2=C(C3)SC(Br)=C2)C=C1
InChIKey
InChIKey=VNZYBRYFFFEPNX-UHFFFAOYSA-N
Formula
C27H30BrN3OS
Mass
524.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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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 Pyrazole-5-carboxamides 2-heteroaryl carboxamides 2,3,5-trisubstituted thiophenes Toluenes Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aromatic monoterpenoid - Pinane monoterpenoid - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - 2,3,5-trisubstituted thiophene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiophene - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - 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