Compound Identification
SMILES
COC1=CC=CC(O)=C1C1C2=CCC3C(C2CC2C(=O)N(NC4=CC=C(F)C=C4)C(=O)C12C1=CC=C(Cl)C=C1)C(=O)N(C3=O)C1=CC=C(I)C=C1
InChIKey
InChIKey=OCADXYRFXVXWMN-UHFFFAOYSA-N
Formula
C39H30ClFIN3O6
Mass
818.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Sesquiterpenoids
- Level 5 Elemane sesquiterpenoids
-
Subclass
Sesquiterpenoids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Elemane sesquiterpenoids
Alternative Parents
Stilbenes Naphthalenecarboxamides Cyclohexylphenols Phenylpyrrolidines Methoxyphenols Isoindolones Phenylhydrazines Phenoxy compounds Methoxybenzenes Anisoles Iodobenzenes Fluorobenzenes Chlorobenzenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyrrolidine-2-ones N-substituted carboxylic acid imides N-acyl amines Pyrroles Dicarboximides Vinyl iodides Vinyl fluorides Vinyl chlorides Iodoalkenes Fluoroalkenes Chloroalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Elemane sesquiterpenoid - Stilbene - 2-naphthalenecarboxamide - Cyclohexylphenol - 3-phenylpyrrolidine - 1-phenylpyrrolidine - Methoxyphenol - Isoindolone - Isoindole or derivatives - Isoindoline - Phenoxy compound - Methoxybenzene - Phenylhydrazine - Phenol ether - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Iodobenzene - Halobenzene - Fluorobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - N-acyl-amine - Monocyclic benzene moiety - Pyrrolidine - Pyrrole - Dicarboximide - Carboxylic acid imide - Azacycle - Iodoalkene - Fluoroalkene - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl iodide - Vinyl halide - Vinyl fluoride - Vinyl chloride - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as elemane sesquiterpenoids. These are sesquiterpenoids with a structure based on the elemane skeleton. Elemane is a monocyclic compound consisting of a cyclohexane ring substituted with a methyl group, an ethyl group, and two 1-methylethyl groups at the 1-, 1-, 2-, and 4-position, respectively.
External Descriptors
Not available