Compound Identification
SMILES
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCCN4C=CN=C4)[C@H]3C=C12
InChIKey
InChIKey=XBYCLWZNSPFVFP-JFQNMGATSA-N
Formula
C21H31N3O2
Mass
357.498
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 Gamma butyrolactones N-substituted imidazoles Oxolanes Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Dialkylamines Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Eudesmanolide - Sesquiterpenoid - Naphthofuran - Gamma butyrolactone - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Oxolane - Amino acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Secondary aliphatic amine - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - 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