Compound Identification
SMILES
COC(=O)C1=C2C=C(N=CN2C(C(=O)C2=CC=CC=C2)=C1C(=O)OC)C1=CC=C(Br)C=C1
InChIKey
InChIKey=LRLDKUHXYOKUSP-UHFFFAOYSA-N
Formula
C24H17BrN2O5
Mass
493.313
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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 Benzoyl derivatives Pyrrole carboxylic acids and derivatives Bromobenzenes Aryl bromides Substituted pyrroles Methyl esters Heteroaromatic compounds Vinylogous amides Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Aryl-phenylketone - 4-phenylpyrimidine - Pyrrolopyrimidine - Benzoyl - Pyrrole-3-carboxylic acid or derivatives - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Substituted pyrrole - Benzenoid - Vinylogous amide - Methyl ester - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Ketone - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Hydrocarbon derivative - Organohalogen 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