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Structure via PubChem · Public domain (PubChem)
Simmondsin
Sign in to saveSimmondsin is a component of jojoba seeds (pronounced "ho-HO-bah") (Simmondsia chinensis). While it had been considered toxic due to jojoba seed meal causing weight loss in animals, in recent years its appetite suppressant effect has also been researched as a potential treatment for obesity. It is thought to reduce appetite by increasing levels of cholecystokinin.
Chemical data
- Formula
- C16H25NO9
- Molecular weight
- 375.37 g/mol
- IUPAC name
- (2Z)-2-[(2S,3R,4S,6R)-2-hydroxy-3,4-dimethoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile
- SMILES
- CO[C@H]1C[C@H](/C(=C\C#N)/[C@@H]([C@H]1OC)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
- InChIKey
- KURSRHBVYUACKS-XGYNEUJOSA-N
- XLogP
- -3.3
- Polar surface area
- 162 Ų
- H-bond donors
- 5
- H-bond acceptors
- 10
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 375.153
Show 4 more facts
- chemical formula
- C₁₆H₂₅NO₉
- found in taxon
- Simmondsia chinensis
- isomeric SMILES
- CO[C@H]1C[C@H](/C(=C\C#N)/[C@@H]([C@H]1OC)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
- canonical SMILES
- COC1CC(C(=CC#N)C(C1OC)O)OC2C(C(C(C(O2)CO)O)O)O
Sources (2)
via Wikidata · CC0