Compound Identification
SMILES
CCOC(=O)C1=CC(C#CC2=CC=C(Br)C=C2)=C(OCOCCOC)C(=C1)C#CC1=CC=C(Br)C=C1
InChIKey
InChIKey=BJTNALPSOMGJJB-UHFFFAOYSA-N
Formula
C29H24Br2O5
Mass
612.314
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
Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Bromobenzenes Aryl bromides Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Acetals Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Dialkyl ether - Organobromide - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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