Compound Identification
SMILES
COC1=CC=C(C=C1)C1C(C(CN1CC(=O)C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1)C(O)=O
InChIKey
InChIKey=BVTRBGMZQONTTQ-UHFFFAOYSA-N
Formula
C27H25NO6
Mass
459.498
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
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Level 5
Ketones
-
Subclass
Carbonyl compounds
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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
Phenylpyrrolidines Benzodioxoles Pyrrolidine carboxylic acids Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Pyrroles Alpha-amino ketones Trialkylamines Amino acids Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Aldehydes Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 2-phenylpyrrolidine - Benzodioxole - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aryl alkyl ketone - Methoxybenzene - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Alpha-aminoketone - Pyrrole - Pyrrolidine - Tertiary amine - Amino acid - Amino acid or derivatives - Tertiary aliphatic amine - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Acetal - Amine - Organic nitrogen compound - Aldehyde - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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