HuperzineB
General
Type : Derivative of Huperzine,Natural,Alkaloid
Chemical_Nomenclature : 4aR,5R,10bR)-1,2,3,4,4a,5,6,10b-octahydro-12-methyl-5,10bpropeno-1,7-phenantrolin-8(7H)-one
Canonical SMILES : CC1=CC2CC3=C(C=CC(=O)N3)C4(C1)C2CCCN4
InChI : InChI=1S\/C16H20N2O\/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16\/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19) || InChI=1S\/C16H20N2O\/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16\/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)\/t11-,12-,16-\/m1\/s1 || InChI=1S\/C16H20N2O\/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16\/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)\/t11-,12-,16+\/m1\/s1
InChIKey : YYWGABLTRMRUIT-UHFFFAOYSA-N || YYWGABLTRMRUIT-XHBSWPGZSA-N || YYWGABLTRMRUIT-HSMVNMDESA-N
Other name(s) : Huperzine b,Lycodin-1(18H)-one, 8,15-didehydro-,HUB
MW : 256.343
Formula : C16H20N2O
CAS_number : 103548-82-9
PubChem : 6916252, 5462442, 3631, 159280
UniChem : YYWGABLTRMRUIT-UHFFFAOYSA-N || YYWGABLTRMRUIT-XHBSWPGZSA-N || YYWGABLTRMRUIT-HSMVNMDESA-N
IUPHAR :
Wikipedia :
Target
Families : HuperzineB ligand of proteins in family: ACHE
Stucture : 1GPN Acetylcholinesterase complexed with Huperzine B at 2.35 A resolution
Protein : torca-ACHE
References (1)
| Title : X-ray Structures of Torpedo californica Acetylcholinesterase Complexed with (+)-Huperzine A and (-)-Huperzine B: Structural Evidence for an Active Site Rearrangement - Dvir_2002_Biochemistry_41_10810 |
| Author(s) : Dvir H , Jiang H , Wong DM , Harel M , Chetrit M , He XC , Jin GY , Yu GL , Tang XC , Silman I , Bai DL , Sussman JL |
| Ref : Biochemistry , 41 :10810 , 2002 |
| Abstract : Dvir_2002_Biochemistry_41_10810 |
| ESTHER : Dvir_2002_Biochemistry_41_10810 |
| PubMedSearch : Dvir_2002_Biochemistry_41_10810 |
| PubMedID: 12196020 |
| Gene_locus related to this paper: torca-ACHE |