Name: Spiro-Oxanthromicin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321116
Cas No:1616622-10-6
常用名:Spiro-Oxanthromicin A
IUPAC:2,4',5,10'-tetrahydroxy-4,6,6',11'-tetramethyl-8',10-dioxo-10H-spiro[anthracene-9,14'-tetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecane]-1'(16'),2',4',6',9'(17'),10',12'-heptaene-3,5'-dicarboxylic acid
IUPAC:2,4',5,10'-tetrahydroxy-4,6,6',11'-tetramethyl-8',10-dioxo-10H-spiro[anthracene-9,14'-tetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadecane]-1'(16'),2',4',6',9'(17'),10',12'-heptaene-3,5'-dicarboxylic acid
InChI key:GLAYNHMYQPENCN-UHFFFAOYSA-N

分子式:C36H26O10
分子量:618.594
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1ccc2c(C(=O)c3c(C)c(C(O)=O)c(O)cc3C22CC=C3c4cc(O)c(C(O)=O)c(C)c4C(=O)c4c(O)c(C)cc2c34)c1O |t:23|
SMILES:Cc1ccc2c(C(=O)c3c(C)c(C(O)=O)c(O)cc3C22CC=C3c4cc(O)c(C(O)=O)c(C)c4C(=O)c4c(O)c(C)cc2c34)c1O |t:23|

Spiro-oxanthromicin A is a polyketide that has been found inStreptomyces.1It induces mislocalization of K-RAS in MDCK cells (IC50= 26.7 μM).

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