Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C[NH+](C[C@H]2[C@H]3C[C@H]4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC2=CC=CO2)C=C1

InChIKey

InChIKey=ZBOSXLVPZSYSOY-UIJOQHLPSA-O

Formula

C28H36NO5

Mass

466.597

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Eudesmanolide - Sesquiterpenoid - Naphthofuran - Phenoxy compound - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Oxolane - Furan - Carboxylic acid ester - Lactone - Tertiary aliphatic amine - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Oxirane - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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

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