Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]12CO[C@@H]3[C@@H]1[C@]1(CO[C@H](O)[C@H]1[C@@](C)([C@@H]3O)[C@]13O[C@@]1(C)[C@H]1C[C@@H]3O[C@@H]3OC=C[C@]13O)[C@H](C[C@H]2OC(C)=O)OC(=O)C(\C)=C\C

InChIKey

InChIKey=ILMJTWSQVCYIKY-YAYGENDCSA-N

Formula

C33H42O14

Mass

662.685

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Triterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Limonoids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Limonoid skeleton - Furopyran - Tricarboxylic acid or derivatives - Fatty acid ester - Oxepane - Oxane - Fatty acyl - Pyran - Cyclic alcohol - Dihydrofuran - Furan - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Tetrahydrofuran - Enoate ester - Methyl ester - Hemiacetal - Carboxylic acid ester - Secondary alcohol - Dialkyl ether - Acetal - Carboxylic acid derivative - Ether - Oxirane - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.

External Descriptors

CHEBI:38510 : methyl ester - azadirachtin

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