Name: Isochondrodendrine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212672367
Cas No:477-62-3
常用名:Isochondrodendrine
别名:Isochondrodendrin
IUPAC:(11R,26R)-5,20-dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.2^{13,16}.1^{3,7}.1^{18,22}.0^{11,36}.0^{26,33}]hexatriaconta-1(30),3,5,7(36),13,15,18,20,22(33),28,31,34-dodecaene-4,19-diol
IUPAC:(11R,26R)-5,20-dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.2^{13,16}.1^{3,7}.1^{18,22}.0^{11,36}.0^{26,33}]hexatriaconta-1(30),3,5,7(36),13,15,18,20,22(33),28,31,34-dodecaene-4,19-diol
InChI key:XIOGHHPVBVXQIV-VSGBNLITSA-N

分子式:C36H38N2O6
分子量:594.708
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:5.739474
SMILES:[H][C@]12Cc3ccc(Oc4c(O)c(OC)cc5CCN(C)[C@]([H])(Cc6ccc(Oc7c(O)c(OC)cc(CCN1C)c27)cc6)c45)cc3
SMILES:[H][C@]12Cc3ccc(Oc4c(O)c(OC)cc5CCN(C)[C@]([H])(Cc6ccc(Oc7c(O)c(OC)cc(CCN1C)c27)cc6)c45)cc3

Isochondodendrine has strong antiplasmodial activity against Plasmodium falciparum. Isochondrodendrine is a class of bisbenzylisoquinoline alkaloid isolated from Isolona ghesquiereina.

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