Compound Identification
SMILES
CC1=C(C)C=C(C=C1)N1CC[NH+](C[C@H]2[C@H]3C[C@@H]4[C@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
InChIKey
InChIKey=SIYYOCXGINPJHS-PGWRCXFVSA-O
Formula
C27H39N2O3
Mass
439.619
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 Phenylpiperazines N-arylpiperazines o-Xylenes Aniline and substituted anilines Dialkylarylamines N-alkylpiperazines Gamma butyrolactones Quaternary ammonium salts Oxolanes Trialkylamines Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Epoxides Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Eudesmanolide - Sesquiterpenoid - Naphthofuran - Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - O-xylene - Dialkylarylamine - Aniline or substituted anilines - Xylene - N-alkylpiperazine - Benzenoid - Piperazine - Gamma butyrolactone - Monocyclic benzene moiety - 1,4-diazinane - Oxolane - Quaternary ammonium salt - Lactone - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic cation - 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