Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C3OC(C)(C)OC3[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](OC(=O)[C@H]4O[C@@]34[C@]12C)C1=COC=C1

InChIKey

InChIKey=PAAPNDHNFMDORQ-BMQDYCMHSA-N

Formula

C31H40O9

Mass

556.652

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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 - Delta valerolactone - Dioxepane - Delta_valerolactone - Ketal - Oxane - Pyran - Dicarboxylic acid or derivatives - Heteroaromatic compound - Meta-dioxolane - Furan - Carboxylic acid ester - Lactone - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Acetal - Oxirane - Ether - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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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