Compound Identification
SMILES
CC12C(C3=CC=CC=C3)C(Br)([N+]([O-])=O)C(C)(C1=O)C(=C2C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=XHSXCOYMXSQUDC-UHFFFAOYSA-N
Formula
C27H22BrNO3
Mass
488.381
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
Stilbenes Benzene and substituted derivatives Ketones C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Stilbene - Monocyclic benzene moiety - Benzenoid - Ketone - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organopnictogen compound - Organohalogen compound - Alkyl halide - Organic oxygen compound - Alkyl bromide - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic homopolycyclic 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