Compound Identification
SMILES
C[C@@H]1CC[C@H]2[C@@H](CN3CCN(CC3)C3=CC=CC=C3F)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12
InChIKey
InChIKey=UDPFOMKNYCYJOB-MFMFHFLBSA-N
Formula
C25H33FN2O3
Mass
428.548
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
-
Subclass
Terpene lactones
-
Level 5
Sesquiterpene lactones
- Level 6 Cadinanolides
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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 Phenylpiperazines N-arylpiperazines Aniline and substituted anilines Dialkylarylamines Oxepanes N-alkylpiperazines Fluorobenzenes Aryl fluorides Gamma butyrolactones Oxolanes Trialkylamines Carboxylic acid esters Amino acids and derivatives Epoxides Monocarboxylic acids and derivatives Dialkyl ethers Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cadinanolide skeleton - Sesquiterpenoid - Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Oxepane - N-alkylpiperazine - Aryl halide - Aryl fluoride - Piperazine - Gamma butyrolactone - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Oxolane - Lactone - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Organoheterocyclic compound - Oxirane - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - 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