Name: Circumdatin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218645447
Cas No:
常用名:Circumdatin A
IUPAC:10,18-dimethoxy-21-oxa-6,14,23-triazapentacyclo[12.9.0.0^{2,6}.0^{8,13}.0^{16,22}]tricosa-1(23),8(13),9,11,16(22),17,19-heptaene-7,15-dione
IUPAC:10,18-dimethoxy-21-oxa-6,14,23-triazapentacyclo[12.9.0.0^{2,6}.0^{8,13}.0^{16,22}]tricosa-1(23),8(13),9,11,16(22),17,19-heptaene-7,15-dione
InChI key:YWIHZIZWXOCIAO-UHFFFAOYSA-N

分子式:C21H19N3O5
分子量:393.399
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1ccc-2c(c1)C(=O)N1CCCC1c1nc3OC=CC(OC)=Cc3c(=O)n-21
SMILES:COc1ccc-2c(c1)C(=O)N1CCCC1c1nc3OC=CC(OC)=Cc3c(=O)n-21

Circumdatin A, a benzodiazepine alkaloid derived from the fungus A. ochraceus, is a fungal metabolite.

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