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Structure Information
Structure

Compound Identification

SMILES

C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]3(C)C1=CC[C@H]2C1=COC=C1

InChIKey

InChIKey=CKDPEAINBFYEHJ-JDGKMSDRSA-N

Formula

C26H34O3

Mass

394.555

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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 - 3-oxo-delta-1-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 3-oxo-5-alpha-steroid - 7-hydroxysteroid - Delta-1-steroid - Steroid - Cyclohexenone - Cyclic alcohol - Heteroaromatic compound - Furan - Ketone - Cyclic ketone - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - 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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