Structure Information
Structure

Compound Identification

SMILES

CC(O)=O.CC(C)C(O)=O.COC(=O)C1(C)C2CC(O)C3(C)C(C(O)C(O)C4(C)C(CC5OC345)C3=COC=C3)C2(C)C=CC1=O

InChIKey

InChIKey=ZMIVVMJTXIUTMP-UHFFFAOYSA-N

Formula

C33H46O12

Mass

634.719

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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

Not available

Substituents

Limonoid skeleton - Prostaglandin skeleton - 17-furanylsteroid skeleton - Eicosanoid - 3-oxo-delta-1-steroid - 1-hydroxysteroid - 6-hydroxysteroid - Hydroxysteroid - 2-hydroxysteroid - Steroid - Delta-1-steroid - Naphthopyran - Naphthalene - Cyclohexenone - Oxane - Pyran - Fatty acyl - Heteroaromatic compound - Cyclic alcohol - Methyl ester - Furan - Cyclic ketone - Ketone - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Polyol - Oxirane - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - 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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