Compound Identification
SMILES
OC(=O)CCCOC1=C(Br)C=C(C=C1)C1=CC=C(C=C1)C1=C(CC2=CC=CC=C2)SC2=CC=CC=C12
InChIKey
InChIKey=XERQWFRHXJCYBZ-UHFFFAOYSA-N
Formula
C31H25BrO3S
Mass
557.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
-
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
Brominated biphenyls 1-benzothiophenes Phenoxy compounds Phenol ethers Bromobenzenes Alkyl aryl ethers Aryl bromides Thiophenes Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Brominated biphenyl - Biphenyl - Benzothiophene - 1-benzothiophene - Phenoxy compound - Phenol ether - Halobenzene - Alkyl aryl ether - Bromobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - 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