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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Monoterpenoids
- Level 5 Iridoids and derivatives
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Subclass
Monoterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
Aromatic monoterpenoids Fluorobenzenes Aralkylamines Alkyl aryl ethers Pyridines and derivatives Aryl fluorides Tetrazoles Heteroaromatic compounds Dihydrofurans Oxacyclic compounds Dialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
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