Inhibitor Report for: Betulinic-acid
Betulinic-acid | Type | Natural |
| | 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 |
| Formula | C30H48O3 |
| CAS_number | 472-15-1 |
| MW | 456.71 |
| |
| Paper | Song_2019_Fitoterapia_137_104199 |
| | Parkkari_2014_PLoS.One_9_e98286 |
| | Wang_2020_Food.Funct_11_8680 |
| Comment | Betulinic 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_locus | human-CES1 |
| | human-ABHD12 |
| CID | 64971 |
| Family | Carb_B_Chordata |
| | ABHD12-PHARC |
| InChIKey | QGJZLNKBHJESQX-FZFNOLFKSA-N |
| CanonicalSMILES | CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O |
| InChI | 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 |
| Wikipedia | Betulinic_acid |
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