Compound Identification
SMILES
CC1CCCC2(C)CC3OC(=O)C(CN4CCN(CC4)C4=CC=CC(=C4)C(F)(F)F)C3C3OC123
InChIKey
InChIKey=XIHIUTYLXLZFNU-UHFFFAOYSA-N
Formula
C26H33F3N2O3
Mass
478.556
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Terpene lactones
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Class
Prenol lipids
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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 Phenylpiperazines N-arylpiperazines Trifluoromethylbenzenes Aniline and substituted anilines Dialkylarylamines N-alkylpiperazines Oxepanes Gamma butyrolactones Oxolanes Amino acids and derivatives Carboxylic acid esters Trialkylamines Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Eudesmanolide - Sesquiterpenoid - Naphthofuran - Phenylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Oxepane - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Gamma butyrolactone - Piperazine - Benzenoid - Oxolane - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Monocarboxylic acid or derivatives - Oxirane - Ether - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - Organic oxygen compound - Organohalogen compound - Organofluoride - Carbonyl group - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - 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