Name: Benzomalvin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321986
Cas No:157047-97-7
常用名:Benzomalvin B
IUPAC:9-methyl-10-(phenylmethylidene)-1,9,12-triazatetracyclo[9.8.0.0^{2,7}.0^{13,18}]nonadeca-2,4,6,11,13,15,17-heptaene-8,19-dione
IUPAC:9-methyl-10-(phenylmethylidene)-1,9,12-triazatetracyclo[9.8.0.0^{2,7}.0^{13,18}]nonadeca-2,4,6,11,13,15,17-heptaene-8,19-dione
InChI key:HXDZMNFJQNZXKW-UHFFFAOYSA-N

分子式:C24H17N3O2
分子量:379.419
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)C1=Cc1ccccc1 |w:22.26|
SMILES:CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)C1=Cc1ccccc1 |w:22.26|

Benzomalvin B is a fungal metabolite originally isolated from Penicillium. It acts as an antagonist of neurokinin-1 (NK1) receptors, inhibiting binding of substance P by 24% in vitro when used at a concentration of 100 μg/ml.

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