Compound Identification
SMILES
CCC[C@@]1(CCC2=CC=CC=C2)CC(=O)C([C@H](CC)C2=CC(NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)=CC=C2)C(=O)O1
InChIKey
InChIKey=MYXACKZCYFKMTE-JETRDCLMSA-N
Formula
C31H33F3N2O5S
Mass
602.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Sulfanilides Pyridinesulfonamides Phenylpropanes Delta valerolactones Oxanes 1,3-dicarbonyl compounds Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Carboxylic acid esters Cyclic ketones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Pyridine-2-sulfonamide - Sulfanilide - Phenylpropane - Delta valerolactone - Delta_valerolactone - Monocyclic benzene moiety - Benzenoid - Oxane - 1,3-dicarbonyl compound - Organosulfonic acid amide - Pyridine - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Organic oxide - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Organofluoride - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available