Compound Identification
SMILES
O[C@H]([C@@H](O)C([O-])=O)C(O)=O.C[N+](C)=C(\C=C\C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=JAWSIIKQEYZKJN-YDRSHQNSSA-M
Formula
C27H25BrClNO6
Mass
574.85
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
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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
Linear 1,3-diarylpropanoids Brominated biphenyls Styrenes Sugar acids and derivatives Short-chain hydroxy acids and derivatives Bromobenzenes Chlorobenzenes Beta hydroxy acids and derivatives Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Aryl bromides Aryl chlorides Fatty acids and conjugates Monosaccharides Secondary ketimines Azomethines Carboxylic acid salts 1,2-diols Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organic cations
Molecular Framework
Not available
Substituents
Linear 1,7-diphenylheptane skeleton - Linear 1,3-diarylpropanoid - Brominated biphenyl - Biphenyl - Styrene - Beta-hydroxy acid - Bromobenzene - Chlorobenzene - Halobenzene - Short-chain hydroxy acid - Sugar acid - Aryl chloride - Fatty acid - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Hydroxy acid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Secondary ketimine - Azomethine - Secondary alcohol - 1,2-diol - Carboxylic acid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Alcohol - Organohalogen compound - Organic oxide - Organopnictogen compound - Organobromide - Organochloride - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - 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