Compound Identification
SMILES
CC1=CC=C(SC2=C(C=C(\C=C\C(=O)C3=CC=C(C=C3)C3=CC=CC=C3)C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=PKXKNAIVHQFTEG-RQZCQDPDSA-N
Formula
C28H21NO3S
Mass
451.54
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
Retrochalcones Biphenyls and derivatives Cinnamic acids and derivatives Diarylthioethers Nitrobenzenes Thiophenol ethers Styrenes Aryl ketones Benzoyl derivatives Nitroaromatic compounds Toluenes Acryloyl compounds Enones Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Retrochalcone - Linear 1,3-diarylpropanoid - Biphenyl - Cinnamic acid or derivatives - Diarylthioether - Nitrobenzene - Thiophenol ether - Aryl thioether - Nitroaromatic compound - Benzoyl - Aryl ketone - Styrene - Toluene - Monocyclic benzene moiety - Benzenoid - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Organic nitro compound - Ketone - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic homomonocyclic 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