Compound Identification
SMILES
CCC(=O)OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCC(C)C3)C=C2)C2=C(S1)C=C(O)C=C2
InChIKey
InChIKey=JRNVMTODPFOJEZ-UHFFFAOYSA-N
Formula
C31H31NO5S
Mass
529.65
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 Aryl-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
Aryl-phenylketones
Alternative Parents
3-aroylthiophenes Phenol esters 1-benzothiophenes Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - 3-aroylthiophene - Phenol ester - Benzothiophene - 1-benzothiophene - Thiophene carboxylic acid or derivatives - Phenol ether - Phenoxy compound - Benzoyl - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Pyrrolidine - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available