Compound Identification
SMILES
CC1CCCC2(C)CC3OC(=O)C(CN4CCN(CC4)C(C4=CC=CC=C4)C4=CC=C(Cl)C=C4)C3C3OC123
InChIKey
InChIKey=HRHAUIBJENZANL-UHFFFAOYSA-N
Formula
C32H39ClN2O3
Mass
535.13
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 Diphenylmethanes Naphthofurans Chlorobenzenes N-alkylpiperazines Aralkylamines Oxepanes Aryl chlorides Gamma butyrolactones Oxolanes Carboxylic acid esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Epoxides Azacyclic compounds Oxacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Eudesmanolide - Sesquiterpenoid - Naphthofuran - Diphenylmethane - Oxepane - Chlorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Aryl chloride - Benzenoid - Gamma butyrolactone - 1,4-diazinane - Monocyclic benzene moiety - Piperazine - Aryl halide - Oxolane - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Azacycle - Oxirane - Ether - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organochloride - Organic nitrogen compound - Organic oxygen compound - 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