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Inhibitor Report for: Betulinic-acid

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



General
Type: Natural, Terpenoid
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
Canonical SMILES: 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
InChIKey: QGJZLNKBHJESQX-FZFNOLFKSA-N
Other name(s): betulinic acid ; Betulic acid ; Mairin ; Lupatic Acid ; NSC 113090 ; CCRIS 6748 ; 3-Hydroxylup-20(29)-en-28-oic acid ; UNII-4G6A18707N ; 3beta-Hydroxy-20(29)-lupaene-28-oic acid ; EINECS 207-448-8 ; NSC677578 ; NSC 677578 ; CHEBI:3087 ; CHEMBL269277 ; Epibetulinic acid
MW: 456.71
Formula: C30H48O3
CAS_number: 472-15-1
PubChem: 64971
IUPHAR:
Wikipedia: Betulinic_acid

Target families
Betulinic-acid ligand of proteins in family: Carb_B_Chordata, ABHD12-PHARC
No structure

Protein target

References
Search PubMed for references concerning: Betulinic-acid
    Title: Pentacyclic triterpenoid acids in Styrax as potent and highly specific inhibitors against human carboxylesterase 1A
    Wang L, Guan XQ, He RJ, Qin WW, Xiong Y, Zhang F, Song YQ, Huo PC, Song PF and Ge GB <1 more author(s)>
    Ref: Food Funct, 11:8680, 2020 : PubMed

            

    Title: Discovery of natural pentacyclic triterpenoids as potent and selective inhibitors against human carboxylesterase 1
    Song PF, Zhu YD, Ma HY, Wang YN, Wang DD, Zou LW, Ge GB, Yang L
    Ref: Fitoterapia, 137:104199, 2019 : PubMed

            

    Title: Discovery of Triterpenoids as Reversible Inhibitors of alpha/beta-hydrolase Domain Containing 12 (ABHD12)
    Parkkari T, Haavikko R, Laitinen T, Navia-Paldanius D, Rytilahti R, Vaara M, Lehtonen M, Alakurtti S, Yli-Kauhaluoma J and Laitinen JT <2 more author(s)>
    Ref: PLoS ONE, 9:e98286, 2014 : PubMed