Compound Identification
SMILES
CC(C)(C)OC(=O)C12C3(C(C)(C)C)C(OC1(N=C(C(F)(F)F)C(F)(F)F)C1=CC=C(Cl)C=C1)(C(C)(C)C)C23C(C)(C)C
InChIKey
InChIKey=GFHLYKOROWOWHV-UHFFFAOYSA-N
Formula
C31H40ClF6NO3
Mass
624.11
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Iridoids and derivatives
-
Subclass
Monoterpenoids
-
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 Chlorobenzenes Oxanes Aryl chlorides Cyclopropanecarboxylic acids and derivatives Secondary ketimines Oxolanes Azomethines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Organopnictogen compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Secoiridoid-skeleton - Aromatic monoterpenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Oxane - Azomethine - Secondary ketimine - Oxolane - Carboxylic acid ester - Ketimine - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Imine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organofluoride - 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