Compound Identification
SMILES
CCOC1=C\C(=C\NC2=CC3=C4N(CCC(C5=CC=CC=C5)C4=C2)CCC3C2=CC=CC=C2)C=C(Br)C1=O
InChIKey
InChIKey=GJJSWVWNPNRQMJ-QURGRASLSA-N
Formula
C33H31BrN2O2
Mass
567.527
Taxonomic Classification
Taxonomy Tree
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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
6-Amino-4-phenyltetrahydroquinolines Phenylquinolines Aminoquinolines and derivatives P-quinomethanes Dialkylarylamines Secondary alkylarylamines Aralkylamines Benzene and substituted derivatives Alpha-haloketones Enamines Bromoalkenes Azacyclic compounds Allylamines Vinyl bromides Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - 6-amino-4-phenyltetrahydroquinoline - Phenylquinoline - Aminoquinoline - Quinoline - Tetrahydroquinoline - P-quinomethane - Dialkylarylamine - Quinomethane - Tertiary aliphatic/aromatic amine - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Tertiary amine - Cyclic ketone - Ketone - Enamine - Allylamine - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Secondary amine - Vinyl bromide - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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