Structure Information
Structure

Compound Identification

SMILES

NC1=N[C@@H]2O[C@@H]3N=C(N)N[C@@]33[C@@H](Cl)[C@H](CNC(=O)C4=CC(Br)=C(Br)N4)[C@@H](CNC(=O)C4=CC(Br)=C(Br)N4)[C@@H]3[C@]2(O)N1

InChIKey

InChIKey=HTYVZJHSQDIKIM-RVJSRHHYSA-N

Formula

C22H23Br4ClN10O4

Mass

846.56

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Iridoids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aromatic monoterpenoid - 11-noriridane monoterpenoid - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Oxane - Substituted pyrrole - Heteroaromatic compound - 2-imidazoline - Pyrrole - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amine - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.

External Descriptors

Not available

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