Name: Setosusin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321943
Cas No:182926-45-0
常用名:Setosusin
IUPAC:(1''S,2R,2'S,5''aR,7''aR,11''aR,11''bR)-4,5,5'',5'',7''a,9'',11''b-heptamethyl-3,3'',5'-trioxo-2'',3'',5'',5''a,6'',7'',7''a,11'',11''a,11''b-decahydro-1''H,3H-dispiro[furan-2,4'-oxolane-2',8''-naphtho[2,1-c]oxepin]-1''-yl acetate
IUPAC:(1''S,2R,2'S,5''aR,7''aR,11''aR,11''bR)-4,5,5'',5'',7''a,9'',11''b-heptamethyl-3,3'',5'-trioxo-2'',3'',5'',5''a,6'',7'',7''a,11'',11''a,11''b-decahydro-1''H,3H-dispiro[furan-2,4'-oxolane-2',8''-naphtho[2,1-c]oxepin]-1''-yl acetate
InChI key:SAYCZGIAVNNJNU-QUDATIDPSA-N

分子式:C29H38O8
分子量:514.615
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC=C(C)[C@@]3(C[C@]4(OC(C)=C(C)C4=O)C(=O)O3)[C@]1(C)CC[C@]1([H])[C@]2(C)[C@H](CC(=O)OC1(C)C)OC(C)=O |t:3,11|
SMILES:[H][C@]12CC=C(C)[C@@]3(C[C@]4(OC(C)=C(C)C4=O)C(=O)O3)[C@]1(C)CC[C@]1([H])[C@]2(C)[C@H](CC(=O)OC1(C)C)OC(C)=O |t:3,11|

Setosusin is a meroterpenoid fungal metabolite originally isolated from C. setosus. It reduces neurotoxicity induced by amyloid-β (Aβ) aggregates in PC12 cells (EC50 = 112.6 μM).

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