Compound Identification
SMILES
COC1=CC=C(C=C2CCCC3=C2N=C2SC=C(N2C3C2=CC=C(OC)C=C2)C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=QAUQOONOTSDJIJ-UHFFFAOYSA-N
Formula
C31H27BrN2O2S
Mass
571.53
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
Quinazolines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Bromobenzenes Hydropyrimidines Aryl bromides Thiazoles Thiazolines Isothioureas Enamines Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Quinazoline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Benzenoid - Hydropyrimidine - Aryl halide - Aryl bromide - 1,6-dihydropyrimidine - Monocyclic benzene moiety - Meta-thiazoline - Thiazole - Isothiourea - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Enamine - Ether - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organobromide - 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