Compound Identification
SMILES
CC1CCCC2(C)CC3OC(=O)C(CNCC4=CC=NC=C4)C3C=C12
InChIKey
InChIKey=AXMXPBSJTYIHAZ-UHFFFAOYSA-N
Formula
C21H28N2O2
Mass
340.467
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Terpene lactones
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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
Terpene lactones
Intermediate Tree Nodes
Sesquiterpene lactones
Direct Parent
Eudesmanolides, secoeudesmanolides, and derivatives
Alternative Parents
Sesquiterpenoids Naphthofurans Aralkylamines Pyridines and derivatives Gamma butyrolactones Oxolanes Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Eudesmanolide - Sesquiterpenoid - Naphthofuran - Aralkylamine - Gamma butyrolactone - Pyridine - Oxolane - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Lactone - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton.
External Descriptors
Not available