Macelignan
human-CES1 IC50 0.75 +/- 0.06 microM; Ki 0.5643 microM. Mixed inhibition
General
Type : Natural, Lignan, Not AlphaBeta Hydrolase target
Chemical_Nomenclature : 4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
Canonical SMILES : C[C@H](CC1=CC2=C(C=C1)OCO2)[C@@H](C)CC3=CC(=C(C=C3)O)OC
InChI : InChI=1S\/C20H24O4\/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18\/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3\/t13-,14+\/m0\/s1
InChIKey : QDDILOVMGWUNGD-UONOGXRCSA-N
Other name(s) : Anwulignan || (+)-Anwulignan || austrobailignan 6 || CHEMBL254071 || SCHEMBL1783132 || CHEBI:94153 || DB14129
MW : 328.4
Formula : C20H24O4
CAS_number : 107534-93-0
PubChem : 10404245
UniChem : QDDILOVMGWUNGD-UONOGXRCSA-N
Target
Families : Macelignan ligand of proteins in family
Carb_B_Chordata
Protein :
human-CES1
References (4)
| Title : Discovery of lignans as the effective inhibitors of CES1A alleviate lipid droplets formation - Mu_2025_J.Enzyme.Inhib.Med.Chem_40_2472817 |
| Author(s) : Mu J , Chen SS , Li SQ , Jin Q , Geng J , Zou LW |
| Ref : J Enzyme Inhib Med Chem , 40 :2472817 , 2025 |
| Abstract : |
| PubMedSearch : Mu_2025_J.Enzyme.Inhib.Med.Chem_40_2472817 |
| PubMedID: 40207794 |
| Title : Phytochemical analysis and anticholinesterase activity of aril of Myristica fragrans Houtt - Rastegari_2022_BMC.Chem_16_106 |
| Author(s) : Rastegari A , Manayi A , Rezakazemi M , Eftekhari M , Khanavi M , Akbarzadeh T , Saeedi M |
| Ref : BMC Chem , 16 :106 , 2022 |
| Abstract : |
| PubMedSearch : Rastegari_2022_BMC.Chem_16_106 |
| PubMedID: 36437466 |
| Title : Potent inhibition of acetylcholinesterase by sargachromanol I from Sargassum siliquastrum and by selected natural compounds - Lee_2019_Bioorg.Chem_89_103043 |
| Author(s) : Lee JP , Kang MG , Lee JY , Oh JM , Baek SC , Leem HH , Park D , Cho ML , Kim H |
| Ref : Bioorg Chem , 89 :103043 , 2019 |
| Abstract : |
| PubMedSearch : Lee_2019_Bioorg.Chem_89_103043 |
| PubMedID: 31200287 |
| Title : Evaluation of the inhibition of human carboxylesterases (CESs) by the active ingredients from Schisandra chinensis - Fu_2019_Xenobiotica_49_1260 |
| Author(s) : Fu Q , Yang K , Hu RX , Du Z , Hu CM , Zhang X |
| Ref : Xenobiotica , 49 :1260 , 2019 |
| Abstract : |
| PubMedSearch : Fu_2019_Xenobiotica_49_1260 |
| PubMedID: 30486721 |