Compound Identification
SMILES
COC(=O)C(CCNC(=O)C1=CC=CC=C1C(O)=O)OC1=C(Br)C=C(C=C1Br)C1=CC=C(C=C1)C1=C(CC2=CC=CC=C2)SC2=CC=CC=C12
InChIKey
InChIKey=YRLJYLHQSJYDKP-UHFFFAOYSA-N
Formula
C40H31Br2NO6S
Mass
813.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Polybrominated biphenyls Gamma amino acids and derivatives Phenoxyacetic acid derivatives Benzoic acids Benzamides 1-benzothiophenes Benzoyl derivatives Phenoxy compounds Phenol ethers Bromobenzenes Fatty acid esters Alkyl aryl ethers Monosaccharides Aryl bromides Methyl esters Heteroaromatic compounds Thiophenes Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Polybrominated biphenyl - Brominated biphenyl - Biphenyl - Gamma amino acid or derivatives - Phenoxyacetate - Benzamide - 1-benzothiophene - Benzoic acid or derivatives - Benzoic acid - Benzothiophene - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Fatty acid ester - Halobenzene - Benzenoid - Monosaccharide - Fatty acyl - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Thiophene - Methyl ester - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organobromide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - 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