Structure Information
Structure

Compound Identification

SMILES

CC1(C)[C@H]2C[C@@H](O)[C@]3(C)[C@@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]2(C)C=CC1=O

InChIKey

InChIKey=HCEYJYMNIQHPPK-ILOKIXJNSA-N

Formula

C26H32O6

Mass

440.536

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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 - Naphthopyran - Naphthalene - 1,4-dioxepane - Cyclohexenone - Delta valerolactone - Dioxepane - Delta_valerolactone - Pyran - Oxane - Cyclic alcohol - Heteroaromatic compound - Furan - Carboxylic acid ester - Ketone - Cyclic ketone - Lactone - Secondary alcohol - Organoheterocyclic compound - Ether - Oxirane - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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