parthenolide Report issue

Small molecule Experimental
AACT DrugBank MeSH PubChem

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Chemistry

Mol. Mass

248.3175

ALogP

2.76

Rule of 5

Yes

Rule of 3

Yes
Details
  • SMILES: CC1=CCC[C@@]2(C)O[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC1
  • InChIKey: KTEXNACQROZXEV-QLIGOWBFSA-N
    1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL540445   ChEMBL
parthenolide

2RDB26I5ZB   NCATS
parthenolide *

Parthenolide   Wikipedia

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