Structure Information
Structure

Compound Identification

SMILES

COC(=O)C[C@H]1[C@]2(C)C[C@]34OC5(C)O[C@@]6([C@H](OC(C)=O)[C@@]3(OC(C)=O)[C@H]2OC(C)=O)[C@@H]2\C(=C(/C)O)C(=O)O[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(C)=O)[C@@H](O)[C@]6(O5)[C@]14COC(C)=O

InChIKey

InChIKey=NSCLJQGYXQGTOW-ONLPQEGQSA-N

Formula

C41H48O20

Mass

860.815

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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

Aromatic heteropolycyclic compounds

Substituents

Limonoid skeleton - Mexicanolide - Prostaglandin skeleton - Eicosanoid - Naphthopyran - Naphthalene - 1,3-dioxepane - Carboxylic acid orthoester - Delta valerolactone - Dioxepane - Delta_valerolactone - Ortho ester - Meta-dioxane - Fatty acyl - Pyran - Oxane - Meta-dioxolane - Cyclic alcohol - Heteroaromatic compound - Furan - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Lactone - Carboxylic acid ester - Secondary alcohol - Orthocarboxylic acid derivative - Enol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic 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

Not available

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