Compound Identification
SMILES
C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@]2(C)C(=O)C[C@H](N3C=C(COC4=CC=C(Cl)C=C4)N=N3)[C@@]12O
InChIKey
InChIKey=MEXDVZRMWJXPQY-FRNVCZFRSA-N
Formula
C24H26ClN3O5
Mass
471.94
Taxonomic Classification
Taxonomy Tree
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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
- Level 5 Sesquiterpene lactones
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Subclass
Terpene lactones
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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
Ambrosanolides and secoambrosanolides
Alternative Parents
Pseudoguaianes Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Aryl chlorides Gamma butyrolactones Triazoles Tetrahydrofurans Tertiary alcohols Enoate esters Heteroaromatic compounds Ketones Cyclic alcohols and derivatives Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ambrosanolide - Pseudoguaiane sesquiterpenoid - Sesquiterpenoid - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Gamma butyrolactone - Monocyclic benzene moiety - Benzenoid - 1,2,3-triazole - Tetrahydrofuran - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Cyclic alcohol - Heteroaromatic compound - Azole - Carboxylic acid ester - Ketone - Lactone - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Alcohol - Organochloride - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ambrosanolides and secoambrosanolides. These are sesquiterpene lactones from the Ambrosia family, with a backbone derivative of azuleno[6,5-b]furan-2-one (ambrosanolides) or azuleno[4,5-b]furan-2-one (secoambrosanolides).
External Descriptors
Not available