Table of Contents

Betulinic acid 10 to 15μM on day4 R05 exp222

Mechanism of Action

Pentacyclic triterpenoid, claimed antiretroviral, antimalarial, anti-inflammatory, topoisomerase I/II inhibitor

Technical Notes

Protein References

  • PubChem Name: Betulinic acid
  • Synonyms: Lupatic acid; Betulic acid
  • CAS #: 472-15-1
  • PubChem CID: 64971
  • IUPAC: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
  • INCHI Name: InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
  • INCHI Key: QGJZLNKBHJESQX-FZFNOLFKSA-N
  • Molecular Weight: 456.7
  • Canonical SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
  • Isomeric SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O
  • Molecular Formula: C30H48O3

Protein Supplier

  • Supplier Name: Toronto Research Chemicals
  • Catalog #: B330250
  • Lot #: 1-BLH-117-1

Protein Characterization

  • HRMS (ESI-TOF) m/z: (M-H)- Calcd for C30 H48 O3 455.35307; found 455.35496

Dose Response Curve

  • Platform ID: BETUNIC-ACID
  • Min: -4.3933; Max: 50.2503





IC Concentration (µM)
IC10 N/A
IC20 7.9330
IC30 11.6823
IC40 16.0442
IC50 N/A
IC60 N/A
IC70 N/A
IC80 N/A
IC90 N/A


Screen Summary

Screen Results

Sensitive/Resistant hits (FDR<0.05)CRANKSScore PlotTop 30 GenesScreen SimilarityTop 30 Sensitive GO termsTop 30 Resistant GO terms
26/28ScoresViewViewViewViewView