Compound Identification
SMILES
CC1=CC(=CC(C)=C1O)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=C(S1)C=C(O)C=C2
InChIKey
InChIKey=HPWKRWZRKNLCQS-UHFFFAOYSA-N
Formula
C30H31NO4S
Mass
501.64
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 1-benzothiophenes m-Xylenes Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers Ortho cresols Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Piperidines Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - 3-aroylthiophene - Benzothiophene - 1-benzothiophene - Thiophene carboxylic acid or derivatives - Phenol ether - O-cresol - Benzoyl - Phenoxy compound - Xylene - M-xylene - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Piperidine - Benzenoid - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - 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