Compound Identification
SMILES
FC1=CC=C(\C=C2/CCCC3C(N(N=C23)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C2=CC=CC=C2S3(=O)=O)C2=CC=C(F)C=C2)C=C1
InChIKey
InChIKey=HEYJQPXYAYHFLD-PTGBLXJZSA-N
Formula
C36H26F2N2O6S
Mass
652.67
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
Thioxanthones Aryl ketones Fluorobenzenes Aryl fluorides Sulfones Pyrazolines N-alkylated hydrazones Carboxylic acid esters Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Thioxanthone - Thioxanthene - 1-benzothiopyran - Benzothiopyran - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazoline - Sulfone - Ketone - Carboxylic acid ester - N-alkylated hydrazone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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