Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C(\C(=C(\Br)C(=S)N1CCCCC1)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=OIDDSRLWSKNSIV-IMVLJIQESA-N
Formula
C29H28BrNO2S
Mass
534.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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
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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
Stilbenes Alkyl-phenylketones Butyrophenones Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Piperidines Thioamides Vinyl bromides Thiocarboxylic acid amides Bromoalkenes Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organonitrogen compounds Thiocarbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retro-dihydrochalcone - Stilbene - Alkyl-phenylketone - Butyrophenone - Phenylketone - Phenoxy compound - Aryl ketone - Aryl alkyl ketone - Phenol ether - Methoxybenzene - Anisole - Benzoyl - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Thioamide - Ketone - Azacycle - Ether - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Thiocarboxylic acid amide - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Thiocarbonyl group - Aromatic heteromonocyclic 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