Sevedindione
IC50 horse BCHE 3.68 +/- 0.26 microM; IC50 human BChE 0.27 +/- 0.04 microM
General
Chemical_Nomenclature : (1S,2R,6R,9S,10R,11S,14R,15R,18S,23R,24S)-14-hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-dione
Canonical SMILES : C[C@@H]1CC[C@H]2[C@@H]([C@H]3CC[C@@]4([C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CCC(=O)C6)C)O)C
InChI : InChI=1S\/C27H41NO3\/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3\/h15-16,18-24,31H,4-14H2,1-3H3\/t15-,16-,18-,19-,20+,21+,22-,23-,24+,26-,27+\/m1\/s1
InChIKey : QIIPLDGFOSWORQ-VZORCSEKSA-N
Other name(s) : CHEMBL1512936 || BDBM50396008 || CCG-208370 || SR-05000002289
MW : 427.6
Formula : C27H41NO3
CAS_number :
PubChem : 16407549
UniChem : QIIPLDGFOSWORQ-VZORCSEKSA-N
Target
Families : Sevedindione ligand of proteins in family
BCHE
Protein :
human-BCHE
References (1)
| Title : Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine - Brunhofer_2012_Bioorg.Med.Chem_20_6669 |
| Author(s) : Brunhofer G , Fallarero A , Karlsson D , Batista-Gonzalez A , Shinde P , Gopi Mohan C , Vuorela P |
| Ref : Bioorganic & Medicinal Chemistry , 20 :6669 , 2012 |
| Abstract : |
| PubMedSearch : Brunhofer_2012_Bioorg.Med.Chem_20_6669 |
| PubMedID: 23062825 |