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1-(2-Morpholine-acetamido)-tanshinone-IIA

General

Type : Benzofuran,Morpholine

Chemical_Nomenclature : 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione 1-(2-Morpholine-acetamido)

Canonical SMILES : C1(C2=C(CCC1)C3=C(C=C2)C4=C(C(C3=O)=O)C(=CO4)CNC(CN5CCOCC5)=O)(C)C

InChI : InChI=1S\/C25H28N2O5\/c1-25(2)7-3-4-16-18(25)6-5-17-21(16)23(30)22(29)20-15(14-32-24(17)20)12-26-19(28)13-27-8-10-31-11-9-27\/h5-6,14H,3-4,7-13H2,1-2H3,(H,26,28)

InChIKey : WYYVYYOFWBPTBB-UHFFFAOYSA-N

Other name(s) :

MW : 436,50

Formula : C25H28N2O5

CAS_number :

PubChem :

UniChem : WYYVYYOFWBPTBB-UHFFFAOYSA-N

Target

Families : 1-(2-Morpholine-acetamido)-tanshinone-IIA ligand of proteins in family
Monoglyceridelipase_lysophospholip

Protein :
human-MGLL

References (1)

Title : Synthesis and biological evaluation of novel tanshinone IIA derivatives for treating pain - Li_2018_Chin.J.Nat.Med_16_113
Author(s) : Li QN , Huang ZP , Gu QL , Zhi ZE , Yang YH , He L , Chen KL , Wang JX
Ref : Chin J Nat Med , 16 :113 , 2018
Abstract : Li_2018_Chin.J.Nat.Med_16_113
ESTHER : Li_2018_Chin.J.Nat.Med_16_113
PubMedSearch : Li_2018_Chin.J.Nat.Med_16_113
PubMedID: 29455726 
Array
(
    [id] => 3123
    [inhibitor] => 1-(2-Morpholine-acetamido)-tanshinone-IIA
    [type] => Array
        (
            [0] => Benzofuran
            [1] => Morpholine
        )

    [other_name] => Array
        (
        )

    [chemical_nomenclature] => 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione 1-(2-Morpholine-acetamido)
    [formula] => C25H28N2O5
    [cas_number] => 
    [mw] => 436,50
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Li_2018_Chin.J.Nat.Med_16_113
    [comment] => 
    [gene_locus] => human-MGLL
    [kin_inhibitor] => 
    [cid] => 
    [family] => Monoglyceridelipase_lysophospholip
    [inchikey] => WYYVYYOFWBPTBB-UHFFFAOYSA-N
    [canonicalsmiles] => C1(C2=C(CCC1)C3=C(C=C2)C4=C(C(C3=O)=O)C(=CO4)CNC(CN5CCOCC5)=O)(C)C
    [inchi] => InChI=1S\/C25H28N2O5\/c1-25(2)7-3-4-16-18(25)6-5-17-21(16)23(30)22(29)20-15(14-32-24(17)20)12-26-19(28)13-27-8-10-31-11-9-27\/h5-6,14H,3-4,7-13H2,1-2H3,(H,26,28)
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)