Compound Identification
SMILES
[Na+].[Na+].CCC[C@@]1(CCC2=CC=CC=C2)CC(=O)C([C@H](CC)C2=CC([N-]S(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)=CC=C2)=C([O-])O1
InChIKey
InChIKey=ZBWMQTUSVWBMQE-KPHXKKTMSA-M
Formula
C31H31F3N2Na2O5S
Mass
646.63
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 Dihydropyranones Vinylogous esters Vinylogous acids Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Cyclic ketones Ketene acetals Oxacyclic compounds Azacyclic compounds Organic metal halides Organic oxides Hydrocarbon derivatives Organic sodium salts Organofluorides Organonitrogen compounds Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Sulfanilide - Pyridine-2-sulfonamide - Phenylpropane - Dihydropyranone - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous ester - Vinylogous acid - Sulfonyl - Ketone - Cyclic ketone - Ketene acetal or derivatives - Organic metal halide - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Alkyl halide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic sodium salt - Carbonyl group - Organic salt - 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