Compound Identification
SMILES
CCC1(C)CC(=O)C(=C1C1=CC=C(C=C1)S(C)(=O)=O)C1=CC=NC=C1
InChIKey
InChIKey=BEFCYEITXCNRPU-UHFFFAOYSA-N
Formula
C20H21NO3S
Mass
355.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Monoterpenoids
- Level 5 Iridoids and derivatives
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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
Monocyclic monoterpenoids Aromatic monoterpenoids Benzenesulfonyl compounds Pyridines and derivatives Sulfones Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aromatic monoterpenoid - 11-noriridane monoterpenoid - Monocyclic monoterpenoid - Benzenesulfonyl group - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Sulfone - Sulfonyl - Ketone - Cyclic ketone - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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