Structure Information
Structure

Compound Identification

SMILES

CO[C@H]1C[C@@H]2[C@]3(C)[C@H]4[C@@H](OC[C@]4(C)[C@@H](C[C@@H]3OC(=O)\C=C\C3=CC=CC=C3)OC(C)=O)[C@@H](O)[C@@]2(C)C2=C(C)[C@@H](C[C@@H]2O1)C1=COC=C1

InChIKey

InChIKey=ZMGNYWCAOWTGBZ-KGPIWROPSA-N

Formula

C38H46O9

Mass

646.777

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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 - Cinnamic acid or derivatives - Cinnamic acid ester - Styrene - Fatty acid ester - Oxepane - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Cyclic alcohol - Heteroaromatic compound - Furan - Alpha,beta-unsaturated carboxylic ester - Tetrahydrofuran - Enoate ester - Carboxylic acid ester - Secondary alcohol - Oxacycle - Ether - Dialkyl ether - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - 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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