Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O[C@@H]1O[C@H](OCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@H]1OCC1=CC=CC=C1

InChIKey

InChIKey=HNDKZEACQYTGJE-VTHSEVEHSA-N

Formula

C53H56O14

Mass

917.017

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene lactones

Intermediate Tree Nodes

Diterpene lactones

Direct Parent

Ginkgolides and bilobalides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Ginkgolide-skeleton - Diterpenoid - Glycosyl compound - O-glycosyl compound - Benzylether - Tricarboxylic acid or derivatives - Furofuran - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Oxane - Monosaccharide - Oxolane - Carboxylic acid ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Acetal - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as ginkgolides and bilobalides. These are diterpene lactones with a structure based either on the gingkolide or the bilobalide skeleton. The ginkgolide skeleton is a very rigid structure consisting of hexacyclic C20 trilactone. The cis-fused F/A/D/C ring junction forms an empty semi-ball hole, the D ring contains a cage form tetrahydrofuran ring which occupies the center of the empty hole, and the oxygen atoms of the D,C and F ring and 10-hydroxyl group consist of an analogous crown ether structure.

External Descriptors

Not available

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