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Inhibitor Report for: Betulinic-acid

Name Class
Betulinic-acidTypeNatural
Terpenoid
Other_Name (15)
Chemical_Nomenclature(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
FormulaC30H48O3
CAS_number472-15-1
MW456.71
PaperSong_2019_Fitoterapia_137_104199
Parkkari_2014_PLoS.One_9_e98286
Wang_2020_Food.Funct_11_8680
CommentBetulinic Acid is a pentacyclic lupane-type triterpene derivative of betulin (isolated from the bark of Betula alba, the common white birch) with antiinflammatory, anti-HIV and antineoplastic activities. Betulinic acid (BA) inhibitor of CES1 (IC50, 15 nM) high selectivity over CES2 (> 2400-fold). Epibetulinic acid CID 485711 QGJZLNKBHJESQX-ULZDWRHHSA-N 38736-77-5.
Epibetulinic acid inhibition of human-CES1 IC50 0.041+/-0.006 microM; Ki 0.059 microM mixed (DME D-luciferin-methyl-ester) substrate. Betulinic acid inhibition of human-CES1 IC50 0.048+/-0.005 microM; Ki 0.066 microM mixed (DME D-luciferin-methyl-ester) substrate
Gene_locushuman-CES1
human-ABHD12
CID64971
FamilyCarb_B_Chordata
ABHD12-PHARC
InChIKeyQGJZLNKBHJESQX-FZFNOLFKSA-N
CanonicalSMILESCC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O
InChIInChI=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
WikipediaBetulinic_acid

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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