Structure Information
Structure

Compound Identification

SMILES

[H][C@]1(CC[C@H](CC2=CC=C(Cl)C=C2)[C@@]1(O)CN1C=NC=N1)[C@H](C)CO

InChIKey

InChIKey=BNBJOIIGYIRGEL-WCZJQEMASA-N

Formula

C18H24ClN3O2

Mass

349.86

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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 heteromonocyclic compounds

Substituents

Monocyclic monoterpenoid - 11-noriridane monoterpenoid - Aromatic monoterpenoid - Halobenzene - Chlorobenzene - Benzenoid - Cyclopentanol - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Azole - Formamidine - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Alcohol - Aromatic heteromonocyclic 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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