Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC1=C2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C[C@H]4O[C@@]34[C@]2(C)C1=O)C1=COC=C1

InChIKey

InChIKey=JNXRHONHDZDCRB-ZVLDLJJCSA-N

Formula

C28H32O6

Mass

464.558

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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 - 3-oxo-delta-1-steroid - 7-oxosteroid - Oxosteroid - Delta-1-steroid - Steroid - Naphthopyran - Naphthalene - Cyclohexenone - Oxane - Pyran - Enol ester - Furan - Heteroaromatic compound - Ketone - Carboxylic acid ester - Cyclic ketone - Oxacycle - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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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