Compound Identification
SMILES
CC1CCCC2(C)CC3OC(=O)C(CN4CCN(CC4)C(C4=CC=CC=C4)C4=CC=C(Cl)C=C4)C3C=C12
InChIKey
InChIKey=GCGDEQDQFMMORL-UHFFFAOYSA-N
Formula
C32H39ClN2O2
Mass
519.13
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
- 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 Diphenylmethanes Aralkylamines N-alkylpiperazines Chlorobenzenes Aryl chlorides Gamma butyrolactones Oxolanes Trialkylamines Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Eudesmanolide - Sesquiterpenoid - Diphenylmethane - Naphthofuran - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Gamma butyrolactone - Oxolane - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organochloride - Amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organic oxide - Hydrocarbon derivative - 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