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=QRTCQCXMBPEKPP-UEDJNFDESA-N
Formula
C31H35F3N2O5S
Mass
604.69
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 Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Pyridine-2-sulfonamide - Sulfanilide - Phenylpropane - Delta valerolactone - Delta_valerolactone - Oxane - Monocyclic benzene moiety - Benzenoid - Pyridine - Organosulfonic acid amide - Aminosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Alkyl fluoride - Alcohol - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Alkyl halide - Organic oxide - 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