Compound Identification
SMILES
COC(=O)C1=C(N)N2C(=O)C(SC2=C(C#N)C1C1=CC=C(C=C1)C(C)C)=CC1=CC=C(C=C1)C(C)C
InChIKey
InChIKey=VKZJERGLTYMWTL-UHFFFAOYSA-N
Formula
C29H29N3O3S
Mass
499.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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 Phenylpropanes Cumenes Vinylogous amides Thiazoles Enoate esters Methyl esters Heteroaromatic compounds Lactams Ketene acetals Monocarboxylic acids and derivatives Nitriles Azacyclic compounds Amines Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Phenylpropane - Cumene - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Methyl ester - Vinylogous amide - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Ketene acetal or derivatives - Lactam - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - 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