Compound Identification
SMILES
CCCC1=C(OCC\C=C/C=C/C(SC2=CC3=C(C=C2)C(=O)C=C(O3)C(O)=O)C(O)C2=CSC=C2)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=BFBVTLKHYRVUKT-KMOPYBJPSA-N
Formula
C33H32O8S2
Mass
620.73
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
Chromones Acetophenones Phenylpropanes Thiophenol ethers Aryl alkyl ketones Benzoyl derivatives Phenol ethers Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Alkylarylthioethers Pyranones and derivatives Heteroaromatic compounds Thiophenes Vinylogous acids Secondary alcohols Carboxylic acids Sulfenyl compounds Oxacyclic compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Chromone - Benzopyran - 1-benzopyran - Acetophenone - Phenylpropane - Aryl thioether - Phenoxy compound - Thiophenol ether - Benzoyl - Phenol ether - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Alkylarylthioether - Phenol - Pyran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous acid - Thiophene - Secondary alcohol - Sulfenyl compound - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Thioether - Aromatic alcohol - Organosulfur compound - Alcohol - Organic oxide - 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