Compound Identification
SMILES
FC1=CNC(=O)NC1=O.CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]13
InChIKey
InChIKey=SBQURMCFTXURBY-PLMVCMGNSA-N
Formula
C19H21FN2O5
Mass
376.384
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene lactones
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Level 5
Sesquiterpene lactones
- Level 6 Guaianolides and derivatives
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Level 5
Sesquiterpene lactones
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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
Guaianolides and derivatives
Alternative Parents
Sesquiterpenoids Pyrimidones Halopyrimidines Aryl fluorides Gamma butyrolactones Hydropyrimidines Vinylogous amides Oxolanes Enoate esters Heteroaromatic compounds Ureas Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Epoxides Monocarboxylic acids and derivatives Carbonyl compounds Organofluorides Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Guaianolide-skeleton - Sesquiterpenoid - Halopyrimidine - Pyrimidone - Aryl fluoride - Aryl halide - Gamma butyrolactone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Oxolane - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Urea - Carboxylic acid ester - Lactone - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Monocarboxylic acid or derivatives - Oxacycle - Oxirane - Ether - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.
External Descriptors
Not available