Name: Ophiobolin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315297
Cas No:4611-05-6
常用名:Ophiobolin A
IUPAC:(1'S,2S,3S,3'R,5R,7'R,11'S,14'R)-14'-hydroxy-3,3',14'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxospiro[oxolane-2,6'-tricyclo[9.3.0.0^{3,7}]tetradecan]-9'-ene-10'-carbaldehyde
IUPAC:(1'S,2S,3S,3'R,5R,7'R,11'S,14'R)-14'-hydroxy-3,3',14'-trimethyl-5-(2-methylprop-1-en-1-yl)-12'-oxospiro[oxolane-2,6'-tricyclo[9.3.0.0^{3,7}]tetradecan]-9'-ene-10'-carbaldehyde
InChI key:MWYYLZRWWNBROW-ISPAKYAGSA-N

分子式:C25H36O4
分子量:400.559
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[#6][C@@]3([#6])[#6]-[#6][C@@]4([#8]-[#6@H](-[#6]-[#6@@H]4-[#6])\[#6]=[#6](\[#6])-[#6])[C@]3([H])[#6]-[#6]=[#6](-[#6]=O)[C@@]1([H])[#6](=O)-[#6][C@@]2([#6])[#8] |w:20.21|
SMILES:[H][C@]12[#6][C@@]3([#6])[#6]-[#6][C@@]4([#8]-[#6@H](-[#6]-[#6@@H]4-[#6])\[#6]=[#6](\[#6])-[#6])[C@]3([H])[#6]-[#6]=[#6](-[#6]=O)[C@@]1([H])[#6](=O)-[#6][C@@]2([#6])[#8] |w:20.21|

Ophiobolin A is a fungal metabolite and a phytotoxin and is an effective and irreversibly inhibitor of calmodulin-activated cyclic nucleotide phosphodiesterase (IC50: 9 μM). Ophiobolin A also has antimicrobial and anticancer activity.

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