Compound Identification
SMILES
OC(O)CC#CC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)CC(CCCC1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=HGFKUNQLIRRQQS-UHFFFAOYSA-N
Formula
C29H28O5
Mass
456.538
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
Biphenyls and derivatives Butyrophenones Medium-chain keto acids and derivatives Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Hydroxy fatty acids Branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Carbonyl hydrates Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Biphenyl - Butyrophenone - Medium-chain keto acid - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Hydroxy fatty acid - Branched fatty acid - Fatty acyl - Keto acid - Monocyclic benzene moiety - Benzenoid - Carboxylic acid - Carboxylic acid derivative - Carbonyl hydrate - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic 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