Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1C(=O)OC2CC34C5C[C@@H](C(C)(C)C)C33C(OC(=O)[C@@H]3OC(=S)OC3=CC=CC=C3)OC4(C(=O)O5)[C@@]12OC(=S)OC1=CC=CC=C1

InChIKey

InChIKey=VDLZZYNUEHWYFY-PLYBYQKESA-N

Formula

C34H32O11S2

Mass

680.74

Export to:

JSON SDF CSV

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 - Tricarboxylic acid or derivatives - Phenoxy compound - Furofuran - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Thiocarbonic acid diester - Oxolane - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organosulfur 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

Previous Back Next