Scopolin

Scopolin

Identifiers
CAS Number	531-44-2 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:16065 Y
ChemSpider	388609
PubChem CID	439514
UNII	1Y49270PY8 Y
CompTox Dashboard (EPA)	DTXSID20967621
InChI InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1 Key: SGTCGCCQZOUMJJ-YMILTQATSA-N InChI=1/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1 Key: SGTCGCCQZOUMJJ-YMILTQATBT
SMILES COC1=C(C=C2C(=C1)C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Properties
Chemical formula	C16H18O9
Molar mass	354.311 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Scopolin is a glucoside of scopoletin formed by the action of the enzyme scopoletin glucosyltransferase.

Bibliography

• Steck, Warren (1967). "Biosynthesis of Scopolin in Tobacco". Canadian Journal of Biochemistry. 45 (6): 889–896. doi:10.1139/o67-099. ISSN 1208-6002. PMID 6034703.
• Steck, Warren (1967). "The Biosynthetic Pathway from Caffeic Acid to Scopolin in Tobacco Leaves". Canadian Journal of Biochemistry. 45 (12): 1995–2003. doi:10.1139/o67-233. ISSN 1208-6002. PMID 6082583.