Compound Identification
SMILES
COC(=O)C1=C2C=C(N=CN2C(C(=O)C2=CC=CC=C2)=C1C(=O)OC)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=UVKHVAWPVHGXNS-UHFFFAOYSA-N
Formula
C25H17N3O5
Mass
439.427
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
Aryl-phenylketones Phenylpyrimidines Pyrrolopyrimidines Pyrrole carboxylic acids and derivatives Benzoyl derivatives Benzonitriles Substituted pyrroles Vinylogous amides Methyl esters Heteroaromatic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Aryl-phenylketone - 4-phenylpyrimidine - Pyrrolopyrimidine - Benzonitrile - Benzoyl - Pyrrole-3-carboxylic acid or derivatives - Aryl ketone - Monocyclic benzene moiety - Pyrimidine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Methyl ester - Ketone - Carboxylic acid ester - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Cyanide - 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