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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene lactones
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Level 5
Diterpene lactones
- Level 6 Ginkgolides and bilobalides
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Level 5
Diterpene lactones
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Subclass
Terpene lactones
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
Diterpenoids O-glycosyl compounds Tricarboxylic acids and derivatives Benzylethers Furofurans Oxanes Monosaccharides Gamma butyrolactones Oxolanes Secondary alcohols Carboxylic acid esters Acetals Oxacyclic compounds Dialkyl ethers Organic oxides Carbonyl compounds Hydrocarbon derivatives
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