Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1C[C@@]2(C)C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)C(C(=O)C=C3[C@]12C)C1=COC=C1

InChIKey

InChIKey=IOXDXKFIWWBBRM-RKYOUBOZSA-N

Formula

C29H36O5

Mass

464.602

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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 - 17-furanylsteroid skeleton - Steroid ester - Oxosteroid - 16-oxosteroid - 3-oxosteroid - 3-oxo-delta-1-steroid - Steroid - Delta-1-steroid - Fatty alcohol ester - Cyclohexenone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Furan - Enone - Acryloyl-group - Cyclic ketone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - 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

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