Dihydrobetulonic-acid
General
Type : Natural,Terpenoid
Chemical_Nomenclature : (1S,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-propan-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
Canonical SMILES : CC(C)C1CCC2(C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)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\/h18-22,24H,8-17H2,1-7H3,(H,32,33)\/t19-,20+,21-,22+,24+,27-,28+,29+,30-\/m0\/s1
InChIKey : OUAPNSVTUJNUMW-SVAFSPIFSA-N
Other name(s) : dihydrobetulonic acid,CHEMBL296567,SCHEMBL3276418,3-Deoxy-3-oxo-dihydrobetulinic acid,CCG-262221,compound-23
MW : 456.7
Formula : C30H48O3
CAS_number :
PubChem : 467411
UniChem : OUAPNSVTUJNUMW-SVAFSPIFSA-N
IUPHAR :
Wikipedia :
Target
Families : Dihydrobetulonic-acid ligand of proteins in family: ABHD12-PHARC
Stucture :
Protein : human-ABHD12
References (1)
| Title : Discovery of Triterpenoids as Reversible Inhibitors of alpha\/beta-hydrolase Domain Containing 12 (ABHD12) - Parkkari_2014_PLoS.One_9_e98286 |
| Author(s) : Parkkari T , Haavikko R , Laitinen T , Navia-Paldanius D , Rytilahti R , Vaara M , Lehtonen M , Alakurtti S , Yli-Kauhaluoma J , Nevalainen T , Savinainen JR , Laitinen JT |
| Ref : PLoS ONE , 9 :e98286 , 2014 |
| Abstract : Parkkari_2014_PLoS.One_9_e98286 |
| ESTHER : Parkkari_2014_PLoS.One_9_e98286 |
| PubMedSearch : Parkkari_2014_PLoS.One_9_e98286 |
| PubMedID: 24879289 |
| Gene_locus related to this paper: human-ABHD12 |