Derivative of Berberine isolated from Corydalis cava (Papaveraceae). IC50 values of for hAChE 0.38 +/- 0.05 muM hBChE (IC50 values > 100 muM)
Type : Natural,Alkaloid
Chemical_Nomenclature : (1R,21S)-16,17-dimethoxy-21-methyl-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
Canonical SMILES : CC1C2C3=CC4=C(C=C3CCN2CC5=C1C=CC(=C5OC)OC)OCO4
InChI : InChI=1S\/C21H23NO4\/c1-12-14-4-5-17(23-2)21(24-3)16(14)10-22-7-6-13-8-18-19(26-11-25-18)9-15(13)20(12)22\/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3\/t12-,20+\/m0\/s1
InChIKey : LPKAAKHLNGEZJC-FKIZINRSSA-N
Other name(s) : (+)-thalictricavine,Talictricavine,SCHEMBL9719515,CHEBI:68993
MW : 353.41
Formula : C21H23NO4
CAS_number :
PubChem : 12443379
UniChem : LPKAAKHLNGEZJC-FKIZINRSSA-N
Families : Thalictricavine ligand of proteins in family
ACHE
BCHE
Cholinesterase
Title : In Vitro and In Silico Acetylcholinesterase Inhibitory Activity of Thalictricavine and Canadine and Their Predicted Penetration across the Blood-Brain Barrier - Chlebek_2019_Molecules_24_ |
Author(s) : Chlebek J , Korabecny J , Dolezal R , Stepankova S , Perez DI , Hostalkova A , Opletal L , Cahlikova L , Macakova K , Kucera T , Hrabinova M , Jun D |
Ref : Molecules , 24 : , 2019 |
Abstract : Chlebek_2019_Molecules_24_ |
ESTHER : Chlebek_2019_Molecules_24_ |
PubMedSearch : Chlebek_2019_Molecules_24_ |
PubMedID: 30959739 |
Array ( [id] => 2457 [inhibitor] => Thalictricavine [type] => Array ( [0] => Natural [1] => Alkaloid ) [other_name] => Array ( [0] => (+)-thalictricavine [1] => Talictricavine [2] => SCHEMBL9719515 [3] => CHEBI:68993 ) [chemical_nomenclature] => (1R,21S)-16,17-dimethoxy-21-methyl-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene [formula] => C21H23NO4 [cas_number] => [mw] => 353.41 [pick_me_to_call] => display_script [kinetic_parameter] => [paper] => Chlebek_2019_Molecules_24_ [comment] => Derivative of Berberine isolated from Corydalis cava (Papaveraceae). IC50 values of for hAChE 0.38 +\/- 0.05 muM hBChE (IC50 values > 100 muM) [gene_locus] => [kin_inhibitor] => [cid] => 12443379 [family] => ACHE || BCHE || Cholinesterase [inchikey] => LPKAAKHLNGEZJC-FKIZINRSSA-N [canonicalsmiles] => CC1C2C3=CC4=C(C=C3CCN2CC5=C1C=CC(=C5OC)OC)OCO4 [inchi] => InChI=1S\/C21H23NO4\/c1-12-14-4-5-17(23-2)21(24-3)16(14)10-22-7-6-13-8-18-19(26-11-25-18)9-15(13)20(12)22\/h4-5,8-9,12,20H,6-7,10-11H2,1-3H3\/t12-,20+\/m0\/s1 [wikipedia] => [iupharlig] => [structure] => [substrate] => [interact_gene_locus] => [mutation] => [comment2] => [extoxnet] => [news] => [theoretical_model] => )