Structure Information
Structure

Compound Identification

SMILES

COC(=O)C[C@@H]1OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]12C

InChIKey

InChIKey=PIMHETLTQXNYHC-BGLWURERSA-N

Formula

C27H34O8

Mass

486.561

Export to:

JSON SDF CSV

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 - Steroid lactone - 11-oxosteroid - Oxosteroid - 2-oxosteroid - Steroid - Naphthopyran - Naphthalene - Delta valerolactone - Dioxepane - Delta_valerolactone - 1,4-dioxepane - Dicarboxylic acid or derivatives - Pyran - Oxane - Heteroaromatic compound - Tetrahydrofuran - Methyl ester - Furan - Carboxylic acid ester - Lactone - Ketone - Carboxylic acid derivative - Dialkyl ether - Organoheterocyclic compound - Oxirane - Ether - Oxacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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

Previous Back Next