Name: Dihydrocephalomannine
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314758
Cas No:159001-25-9
常用名:Dihydrocephalomannine
别名:紫杉醇EP杂质R
IUPAC:4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[2-hydroxy-3-(2-methylbutanamido)-3-phenylpropanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
IUPAC:4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[2-hydroxy-3-(2-methylbutanamido)-3-phenylpropanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
InChI key:OKEKLOJNCOIPIT-UHFFFAOYSA-N

分子式:C45H55NO14
分子量:833.928
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)C(=O)NC(C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)c1ccccc1 |t:47|
SMILES:CCC(C)C(=O)NC(C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C)OC(C)=O)c1ccccc1 |t:47|

Dihydrocephalomannine is similar to paclitaxel, showing reduced cytotoxicity and tubulin binding.

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