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Substance Name: Isopetasin
RN: 469-26-1
UNII: D5LUE47SS6
InChIKey: OFDHBFFGRFCQOW-KSEJUSODSA-N

Note

  • Inhibits biosynthesis of cysteinyl-leukotriene; from Petasites formosanus Kitamurai.

Molecular Formula

  • C20-H28-O3

Molecular Weight

  • 316.4382
 
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Names and Synonyms

Name of Substance

  • Isopetasin

Synonyms

  • Isopetasin
  • UNII-D5LUE47SS6

Systematic Name

  • Eremophila-7(11),9-dien-8-one, 3alpha-hydroxy-, 2-methylcrotonate, (Z)-

Registry Numbers

CAS Registry Number

  • 469-26-1

FDA UNII

  • D5LUE47SS6

System Generated Number

  • 0000469261

Structure Descriptors

InChI

1S/C20H28O3/c1-7-13(4)19(22)23-18-9-8-15-10-17(21)16(12(2)3)11-20(15,6)14(18)5/h7,10,14,18H,8-9,11H2,1-6H3/b13-7-/t14-,18+,20+/m0/s1

InChIKey

OFDHBFFGRFCQOW-KSEJUSODSA-N

Smiles

C1[C@@]2([C@H]([C@@H](CCC2=CC(=O)\C1=C(/C)C)OC(=O)\C(=C/C)C)C)C