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Carltonine-A

Amaryllidaceae alkaloid carltonine: hBChE IC50 = 0.91 +/- 0.02 microM hAChE IC50 >100 microM || hBChE IC50 = 0.91 +/- 0.2 microM; hAChE IC50 >100 microM

General

Type : Alkaloid,Natural

Chemical_Nomenclature :

Canonical SMILES : C1(=CC(=C(C=C1OC)CN(CCC2=CC=C(C=C2)O)C)C3=CC=CC4=C3N(CC4)C)OC

InChI : InChI=1S\/C27H32N2O3\/c1-28(14-12-19-8-10-22(30)11-9-19)18-21-16-25(31-3)26(32-4)17-24(21)23-7-5-6-20-13-15-29(2)27(20)23\/h5-11,16-17,30H,12-15,18H2,1-4H3

InChIKey : CSLQRYJSGRPVQT-UHFFFAOYSA-N

Other name(s) :

MW : 432.56

Formula : C27H32N2O3

CAS_number :

PubChem :

UniChem : CSLQRYJSGRPVQT-UHFFFAOYSA-N

Target

Families : Carltonine-A ligand of proteins in family
BCHE

Protein :
human-BCHE

References (2)

Title : Amaryllidaceae Alkaloids of Norbelladine-Type as Inspiration for Development of Highly Selective Butyrylcholinesterase Inhibitors: Synthesis, Biological Activity Evaluation, and Docking Studies - Al Mamun_2021_Int.J.Mol.Sci_22_
Author(s) : Al Mamun A , Pidany F , Hulcova D , Marikova J , Kucera T , Schmidt M , Catapano MC , Hrabinova M , Jun D , Muckova L , Kunes J , Janousek J , Andrys R , Novakova L , Perinova R , Maafi N , Soukup O , Korabecny J , Cahlikova L
Ref : Int J Mol Sci , 22 : , 2021
Abstract : Al Mamun_2021_Int.J.Mol.Sci_22_
ESTHER : Al Mamun_2021_Int.J.Mol.Sci_22_
PubMedSearch : Al Mamun_2021_Int.J.Mol.Sci_22_
PubMedID: 34361074

Title : Alkaloids of Zephyranthes citrina (Amaryllidaceae) and their implication to Alzheimer's disease: Isolation, structural elucidation and biological activity - Kohelova_2020_Bioorg.Chem_107_104567
Author(s) : Kohelova E , Marikova J , Korabecny J , Hulcova D , Kucera T , Jun D , Chlebek J , Jenco J , Safratova M , Hrabinova M , Ritomska A , Malanik M , Perinova R , Breiterova K , Kunes J , Novakova L , Opletal L , Cahlikova L
Ref : Bioorg Chem , 107 :104567 , 2020
Abstract : Kohelova_2020_Bioorg.Chem_107_104567
ESTHER : Kohelova_2020_Bioorg.Chem_107_104567
PubMedSearch : Kohelova_2020_Bioorg.Chem_107_104567
PubMedID: 33387730 
Array
(
    [id] => 630
    [inhibitor] => Carltonine-A
    [type] => Array
        (
            [0] => Alkaloid
            [1] => Natural
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => 
    [formula] => C27H32N2O3
    [cas_number] => 
    [mw] => 432.56
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Al Mamun_2021_Int.J.Mol.Sci_22_ || Kohelova_2020_Bioorg.Chem_107_104567
    [comment] => Amaryllidaceae alkaloid carltonine: hBChE IC50 = 0.91 +\/- 0.02 microM hAChE IC50 >100 microM || hBChE IC50 = 0.91 +\/- 0.2 microM\; hAChE IC50 >100 microM
    [gene_locus] => human-BCHE
    [kin_inhibitor] => 
    [cid] => 
    [family] => BCHE
    [inchikey] => CSLQRYJSGRPVQT-UHFFFAOYSA-N
    [canonicalsmiles] => C1(=CC(=C(C=C1OC)CN(CCC2=CC=C(C=C2)O)C)C3=CC=CC4=C3N(CC4)C)OC
    [inchi] => InChI=1S\/C27H32N2O3\/c1-28(14-12-19-8-10-22(30)11-9-19)18-21-16-25(31-3)26(32-4)17-24(21)23-7-5-6-20-13-15-29(2)27(20)23\/h5-11,16-17,30H,12-15,18H2,1-4H3
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)