Compound Identification
SMILES
COC1=CC(OC)=C([C@@H]2[C@H]3C[C@H]4C[C@@H](C3=CS2(=O)=O)C4(C)C)C(O)=C1C(=O)CC(C)C
InChIKey
InChIKey=XOWGWRQUSYZDOB-RQRNNKEXSA-N
Formula
C24H32O6S
Mass
448.57
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
Butyrophenones Methoxyphenols Aromatic monoterpenoids Dimethoxybenzenes Bicyclic monoterpenoids Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Sulfones Dihydrothiophenes Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Aromatic monoterpenoid - Pinane monoterpenoid - Methoxyphenol - Nopinane monoterpenoid - Monoterpenoid - Dimethoxybenzene - M-dimethoxybenzene - Methoxybenzene - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - 2,3-dihydrothiophene - Sulfone - Vinylogous acid - Ether - Organoheterocyclic compound - 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