Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)[C@@H]1[C@H]([C@@H]([C@H]2CCC(=O)N12)C1=CC=CC=C1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=ZJCYOLSATDOCGZ-ORZNUPDKSA-N
Formula
C28H27NO4
Mass
441.527
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
Phenylpyrrolidines Dimethoxybenzenes Pyrrolizidinones Anisoles Aryl alkyl ketones Phenoxy compounds Benzoyl derivatives Alkyl aryl ethers Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Pyrroles Amino acids and derivatives Tertiary amines Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 2-phenylpyrrolidine - 3-phenylpyrrolidine - O-dimethoxybenzene - Dimethoxybenzene - Pyrrolizidinone - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aryl alkyl ketone - Pyrrolizidine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - 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