AKBA

Type : Terpenoid, Natural

Chemical_Nomenclature : (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid

Canonical SMILES : C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C

InChI : InChI=1S\/C32H48O5\/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7\/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)\/t18-,19+,23-,24-,25+,26-,28-,29+,30-,31-,32-\/m1\/s1

InChIKey : HMMGKOVEOFBCAU-BCDBGHSCSA-N

Other name(s) : 3-acetyl-11-keto-beta-boswellic acid  ||  3-O-Acetyl-11-keto-beta-Boswellic Acid  ||  AKBA cpd  ||  acetyl-11-ketoboswellic acid  ||  Acetyl-11-keto-beta-boswellic acid  ||  Acetyl-11-keto--boswellic acid  ||  CHEMBL237111  ||  CHEBI:166842

MW : 512.7

Formula : C32H48O5

CAS_number : 67416-61-9

PubChem : 11168203

UniChem : HMMGKOVEOFBCAU-BCDBGHSCSA-N

Families : AKBA ligand of proteins in family
Monoglyceridelipase_lysophospholip

Protein :
human-MGLL