quassin

Also known as nigakilactone D

Quassin is a white, bitter, crystalline substance that is the prototypical example of the family of quassinoids. It can be extracted from the quassia tree, from which it gets its name. It was first isolated in 1937, and its chemical structure was elucidated in 1961.

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Vinony's link graph records 14 inbound references to quassin, and connects out to Wayback Machine, digital object identifier and chemical formula.

It sits within the topics Bitter compounds, Chemical articles with multiple compound IDs and Diketones.

Vinony links it to 11 Wikipedia language editions.

Chemical data

Formula: C22H28O6
Molecular weight: 388.5 g/mol
IUPAC name: (1S,2S,6S,7S,9R,13R,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,11,16-trione
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(=O)O3)C)OC)C)C)OC
InChIKey: IOSXSVZRTUWBHC-LBTVDEKVSA-N
XLogP: 2.4
Polar surface area: 78.9 Å²
H-bond donors: 0
H-bond acceptors: 6
Formal charge: 0

via PubChem

Drug data · ChEMBL

Molecule type: Small molecule

via ChEMBL · EBI

Wikidata facts

Mass: 388.189

Show 6 more facts

described by source: Encyclopædia Britannica 11th edition
chemical formula: C₂₂H₂₈O₆
isomeric SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(=O)O3)C)OC)C)C)OC
canonical SMILES: CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(=O)O3)C)OC)C)C)OC
Commons category: Quassin
has characteristic: bitterness

Sources (3)

via Wikidata · CC0

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