Compound Identification
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN1C=C(N=C1SCC1=CC=CC=C1)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
InChIKey
InChIKey=ZDCREGYLNJEUSI-UHFFFAOYSA-N
Formula
C40H52N2O3S
Mass
640.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenylimidazoles Phenylpropanes Benzoyl derivatives Aryl alkyl ketones 1,2,4-trisubstituted imidazoles Phenols Alkylarylthioethers N-substituted imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 5-phenylimidazole - 4-phenylimidazole - Phenylpropane - 1,2,4-trisubstituted-imidazole - Aryl thioether - Benzoyl - Trisubstituted imidazole - Aryl alkyl ketone - Phenol - Alkylarylthioether - N-substituted imidazole - Benzenoid - Monocyclic benzene moiety - Imidazole - Azole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available