Compound Identification
SMILES
CCCCCCC1=C(C2=CC=CC=C2)[C@@]2(CCC[C@@H]2C1)NC1=CC=C(I)C=C1
InChIKey
InChIKey=MMTJVNVOMHFWGP-GJZUVCINSA-N
Formula
C26H32IN
Mass
485.453
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
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
Bicyclic monoterpenoids Aromatic monoterpenoids Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Iodobenzenes Aryl iodides Organopnictogen compounds Organoiodides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Aromatic monoterpenoid - Bicyclic monoterpenoid - 11-noriridane monoterpenoid - Phenylalkylamine - Aniline or substituted anilines - Halobenzene - Iodobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Secondary amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Aromatic homopolycyclic 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