Structure Information
Structure

Compound Identification

SMILES

CC1(C)OC(C)(C)C(=O)C(C1=O)C1=C(C=CC(OC2=NC3=CC=CC=C3N=C2)=C1)C1CC1CC1(C)OC(C)(C)C(=O)C(C1=O)C1=C(C=CC(OC2=NC3=C(S2)C=C(Cl)C=C3)=C1)C1CC1

InChIKey

InChIKey=CQGMIGVYXNAFHP-UHFFFAOYSA-N

Formula

C51H48ClN3O8S

Mass

898.47

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Diaryl ether - Quinoxaline - 1,3-benzothiazole - Phenoxy compound - Phenol ether - 1,3-diketone - Aryl halide - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Pyrazine - Aryl chloride - Oxane - Heteroaromatic compound - Azole - Thiazole - Cyclic ketone - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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

Previous Back Next