Compound Identification
SMILES
C[C@@H]1CC[C@H]2C(CN3CCN(CC=Cc4ccccc4)CC3)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12
InChIKey
InChIKey=WVGDXNVLHFQIGG-ROKULZLRSA-N
Formula
C28H38N2O3
Mass
450.623
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 Styrenes Oxepanes N-alkylpiperazines Gamma butyrolactones Tetrahydrofurans Trialkylamines Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cadinanolide skeleton - Sesquiterpenoid - Styrene - N-alkylpiperazine - Oxepane - Benzenoid - Piperazine - Gamma butyrolactone - 1,4-diazinane - Monocyclic benzene moiety - Tetrahydrofuran - Tertiary aliphatic amine - Tertiary amine - Lactone - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic 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