Compound Identification
SMILES
CC1CCCN(CC2C3CCC(C)C4CCC5(C)OC5C34OC2=O)C1
InChIKey
InChIKey=UVGULDLZIGGMGP-UHFFFAOYSA-N
Formula
C21H33NO3
Mass
347.499
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
-
Level 5
Sesquiterpene lactones
- Level 6 Cadinanolides
-
Level 5
Sesquiterpene lactones
-
Subclass
Terpene lactones
-
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
Cadinanolides
Alternative Parents
Sesquiterpenoids Oxepanes Piperidines Gamma butyrolactones Oxolanes Trialkylamines Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Epoxides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cadinanolide skeleton - Sesquiterpenoid - Oxepane - Gamma butyrolactone - Piperidine - Oxolane - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cadinanolides. These are sesquiterpene lactones based on 2-dioxonaphtho[4a,4-b]furan.
External Descriptors
Not available