Compound Identification
SMILES
CCCCCCCCCCCCNC(=O)C[C@]1(C)[C@H](CCC1C1CCC2=C(C1)C=CC(OC)=C2)OC(C)=O
InChIKey
InChIKey=BROWXPPBURXLTE-BAAIGDBDSA-N
Formula
C33H53NO4
Mass
527.79
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
Tetralins Bicyclic monoterpenoids Aromatic monoterpenoids Anisoles Alkyl aryl ethers Fatty amides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Aromatic monoterpenoid - Bicyclic monoterpenoid - Tetralin - 11-noriridane monoterpenoid - Anisole - Alkyl aryl ether - Fatty amide - Fatty acyl - Benzenoid - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen 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