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Glabridin

Inhibits tyrosinase. Has pleiotropic effects. Inhibitor of CES2A.High specificity over CES1A (>500-fold) and other serine hydrolases. Glabridin is cell permeable and low cytotoxicity. IC50 0.52 muM in cells

General

Type : Natural,Flavonoid

Chemical_Nomenclature : 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol

Canonical SMILES : CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)O)O)C

InChI : InChI=1S\/C20H20O4\/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22\/h3-8,10,13,21-22H,9,11H2,1-2H3\/t13-\/m0\/s1

InChIKey : LBQIJVLKGVZRIW-ZDUSSCGKSA-N

Other name(s) : UNII-HOC5567T41,CHEBI:5369,HOC5567T41

---

MW : 324.37

Formula : C20H20O4

CAS_number : 59870-68-7

PubChem : 124052

UniChem : LBQIJVLKGVZRIW-ZDUSSCGKSA-N

Target

Families : Glabridin ligand of proteins in family
Carb_B_Chordata

Protein :
human-CES2 mouse-Ces2a

References (1)

1. Flavonoids as human carboxylesterase 2 inhibitors: Inhibition potentials and molecular docking simulations

Title : Flavonoids as human carboxylesterase 2 inhibitors: Inhibition potentials and molecular docking simulations - Song_2019_Int.J.Biol.Macromol_131_201

Author(s) : Song SS , Sun CP , Zhou JJ , Chu L

Ref : Int J Biol Macromol , 131 :201 , 2019

Abstract : Song_2019_Int.J.Biol.Macromol_131_201

ESTHER : Song_2019_Int.J.Biol.Macromol_131_201

PubMedSearch : Song_2019_Int.J.Biol.Macromol_131_201

PubMedID: 30872054

Array
(
    [id] => 2412
    [inhibitor] => Glabridin
    [type] => Array
        (
            [0] => Natural
            [1] => Flavonoid
        )

    [other_name] => Array
        (
            [0] => UNII-HOC5567T41
            [1] => CHEBI:5369
            [2] => HOC5567T41
        )

    [chemical_nomenclature] => 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
    [formula] => C20H20O4
    [cas_number] => 59870-68-7
    [mw] => 324.37
    [pick_me_to_call] => display_script
    [kinetic_parameter] => 
    [paper] => Song_2019_Int.J.Biol.Macromol_131_201
    [comment] => Inhibits tyrosinase. Has pleiotropic effects. Inhibitor of CES2A.High specificity over CES1A (>500-fold) and other serine hydrolases. Glabridin is cell permeable and low cytotoxicity. IC50  0.52 muM in cells
    [gene_locus] => human-CES2 || mouse-Ces2a
    [kin_inhibitor] => 
    [cid] => 124052
    [family] => Carb_B_Chordata
    [inchikey] => LBQIJVLKGVZRIW-ZDUSSCGKSA-N
    [canonicalsmiles] => CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)O)O)C
    [inchi] => InChI=1S\/C20H20O4\/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22\/h3-8,10,13,21-22H,9,11H2,1-2H3\/t13-\/m0\/s1
    [wikipedia] => 
    [iupharlig] => 
    [structure] => 
    [substrate] => 
    [interact_gene_locus] => 
    [mutation] => 
    [comment2] => 
    [extoxnet] => 
    [news] => 
    [theoretical_model] => 
)