Compound Identification
SMILES
CCCC1=C(OCC\C=C/C=C/[C@H]([C@@H](O)C2=CC=CC(C)=C2)C2=C(OC(O)=O)OC3=CC(=S)CC=C3C2=O)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=IMLFIYHMEFXBOQ-ABHYKEANSA-N
Formula
C36H36O9S
Mass
644.74
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
Acetophenones Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Toluenes Pyranones and derivatives Heteroaromatic compounds Carbonic acid monoesters Vinylogous acids Secondary alcohols Thioketones Oxacyclic compounds Aromatic alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Acetophenone - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Benzoyl - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Toluene - Pyran - Benzenoid - Monocyclic benzene moiety - Carbonic acid monoester - Heteroaromatic compound - Vinylogous acid - Carbonic acid derivative - Thioketone - Secondary alcohol - Ether - Organoheterocyclic compound - Oxacycle - Organosulfur compound - Organic oxide - Aromatic alcohol - Alcohol - Thiocarbonyl group - Hydrocarbon derivative - 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