Compound Identification
SMILES
C[C@@]1(CCC[C@H]1COS(C)(=O)=O)[C@@]1(C)CCCC[C@@H]1OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=QKVKNOMQLZXVRX-LGGPRVQUSA-N
Formula
C22H32O5S
Mass
408.55
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
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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
Monocyclic monoterpenoids Benzoic acid esters Aromatic monoterpenoids Benzoyl derivatives Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aromatic monoterpenoid - Benzoate ester - 11-noriridane monoterpenoid - Monocyclic monoterpenoid - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Sulfonic acid ester - Methanesulfonate - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Aromatic homomonocyclic 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