Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C(=S)CC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=JYGWPMBEMMQLIY-UHFFFAOYSA-N
Formula
C18H17BrO4S
Mass
409.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retro-dihydrochalcones
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Subclass
Chalcones and dihydrochalcones
-
Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retro-dihydrochalcones
Alternative Parents
Alkyl-phenylketones Butyrophenones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Thioketones Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Ketone - Thioketone - Ether - Organosulfur compound - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Thiocarbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available