Structure Information
Structure

Compound Identification

SMILES

CC(C)OC1=NC=C(C=C1C1=COC2(CCC(CNC(C)(C)CF)C2C2=CC=C(F)C=C2)C1)N1N=NN=C1C(F)(F)F

InChIKey

InChIKey=IHYCVAHHPQLSRA-UHFFFAOYSA-N

Formula

C29H33F5N6O2

Mass

592.615

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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 - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Azole - Tetrazole - Dihydrofuran - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Ether - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - 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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