Name: Aspulvinone O
Rating: 5 (10 reviews)

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HIT ID:HIT214321006
Cas No:914071-54-8
常用名:Aspulvinone O
IUPAC:3-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-4-hydroxy-5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methylidene}-2,5-dihydrofuran-2-one
IUPAC:3-[2,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-4-hydroxy-5-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]methylidene}-2,5-dihydrofuran-2-one
InChI key:IAHWCROWFXOMDG-UHFFFAOYSA-N

分子式:C27H28O6
分子量:448.515
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6]=[#6]-2-[#8]-[#6](=O)-[#6](=[#6]-2-[#8])-c2cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8])ccc1-[#8] |w:8.7,c:13|
SMILES:[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6]=[#6]-2-[#8]-[#6](=O)-[#6](=[#6]-2-[#8])-c2cc(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8])ccc1-[#8] |w:8.7,c:13|

Aspulvinone O is a fungal metabolite that has been found in P. variotti and has antioxidant and anticancer activities.1,2 It scavenges 2,2-diphenyl-1-picrylhydrazyl radicals in a cell-free assay (IC50 = 11.6 μM).1 Aspulvinone O inhibits aspartate transaminase 1 (GOT1; Kd = 3.32 μM) and is cytotoxic to PANC-1, AsPC-1, and SW1990 pancreatic cancer cells (IC50s = 20.54-26.8 μM).2 It reduces the oxygen consumption rate (OCR) and induces apoptosis in SW1990 cells. Aspulvinone O (2.5 and 5 mg/kg) reduces tumor growth in an SW1990 mouse xenograft model.

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