Compound Identification
SMILES
CC1(C)CCC(C)(C)C2=C1C=C(C=C2SCC1=CC=C(F)C=C1)C(=O)\C=C\C1=CC=C(C=C1)C(O)=O
InChIKey
InChIKey=QDFFOTURVGIOET-NTEUORMPSA-N
Formula
C31H31FO3S
Mass
502.64
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 Retrochalcones
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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
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Tetralins Benzoic acids Thiophenol ethers Styrenes Aryl ketones Benzoyl derivatives Alkylarylthioethers Fluorobenzenes Aryl fluorides Acryloyl compounds Enones Sulfenyl compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Tetralin - Benzoic acid - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Styrene - Thiophenol ether - Aryl ketone - Halobenzene - Alkylarylthioether - Fluorobenzene - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Benzenoid - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available