Compound Identification
SMILES
COC1=CC(O)=C(C=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
InChIKey
InChIKey=HJGRGXQETQJTGT-UHFFFAOYSA-N
Formula
C21H23NO6
Mass
385.416
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
Tetrahydroisoquinolines Methoxyphenols Benzodioxoles Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Beta-amino ketones Vinylogous acids Trialkylamines Azacyclic compounds Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Tetrahydroisoquinoline - Methoxyphenol - Benzodioxole - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Beta-aminoketone - Vinylogous acid - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Ether - Azacycle - Oxacycle - Acetal - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic nitrogen compound - Aldehyde - 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