Structure Information
Structure

Compound Identification

SMILES

C[C@@]12CC[C@@H]3[C@@]4(C)[C@H]5O[C@H]5C(=O)C(C)(C)[C@@H]4C[C@H](O)[C@@]3(C)C1=CC[C@H]2C1=COC=C1

InChIKey

InChIKey=OWQKEXRIKMHBLZ-NVDMAPAZSA-N

Formula

C26H34O4

Mass

410.554

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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 - 1-alpha,2-epoxy-3-oxo-5-alpha-steroid - 1,2-epoxy-3-oxo-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 7-alpha-hydroxysteroid - 7-hydroxysteroid - 3-oxo-5-alpha-steroid - Steroid - Oxepane - Cyclic alcohol - Heteroaromatic compound - Furan - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Carbonyl group - Alcohol - 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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