minnelide Report issue

Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

514.38

ALogP

1.19

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2OCOP(=O)([O-])[O-].[Na+].[Na+]
  • InChIKey: ZHBJMVNZRZUQEP-KIKMAQITSA-L
    InChI=1S/C21H27O10P.2Na/c1-9(2)19-14(30-19)15-21(31-15)18(3)5-4-10-11(7-26-16(10)22)12(18)6-13-20(21,29-13)17(19)27-8-28-32(23,24)25;;/h9,12-15,17H,4-8H2,1-3H3,(H2,23,24,25);;/q;2*+1/p-2/t12-,13-,14-,15-,17+,18-,19-,20+,21+;;/m0../s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3740500   ChEMBL
minnelide

Triptolide   Wikipedia

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