Compound Identification
SMILES
CC[C@H](O)[C@@H]1C(=O)N2C(C(O)=O)=C(SC3CCN(C3)C(C)C(=O)C3=CC=CC=C3)S[C@]12SCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=DWUHYWQNTKCUAV-UIXADRATSA-N
Formula
C29H31N3O7S3
Mass
629.76
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
Alpha amino acids and derivatives Nitrobenzenes Phenylpropanes Nitroaromatic compounds Thiazolecarboxylic acids and derivatives Benzoyl derivatives Aryl alkyl ketones Penems Vinylogous thioesters N-alkylpyrrolidines Thiazolines Tertiary carboxylic acid amides Alpha-amino ketones Secondary alcohols Azetidines Trialkylamines Amino acids Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic zwitterions Organic salts Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid or derivatives - Nitrobenzene - Phenylpropane - Nitroaromatic compound - Penem - Thiazolecarboxylic acid or derivatives - Aryl alkyl ketone - Benzoyl - N-alkylpyrrolidine - Benzenoid - Vinylogous thioester - Monocyclic benzene moiety - Meta-thiazoline - Tertiary carboxylic acid amide - Thiazole - Beta-lactam - Alpha-aminoketone - Pyrrolidine - C-nitro compound - Tertiary aliphatic amine - Lactam - Carboxamide group - Organic nitro compound - Azetidine - Amino acid or derivatives - Tertiary amine - Secondary alcohol - Amino acid - Azacycle - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Thioether - Sulfenyl compound - Alcohol - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxide - Organonitrogen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic 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