Name: N-Methyltaxol C
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214316063
Cas No:153083-53-5
常用名:N-Methyltaxol C
IUPAC:(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-(N-methylhexanamido)-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:(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-(N-methylhexanamido)-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:LJTMOSWWGSCCPR-AMMYIWEDSA-N

分子式:C47H59NO14
分子量:861.982
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](N(C)C(=O)CCCCC)c1ccccc1 |c:14|
SMILES:[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](N(C)C(=O)CCCCC)c1ccccc1 |c:14|

N-methyltaxol C and paclitaxel can produce a positive inotropic effect in papillary muscle, without alterations in the action potential. They can induced conduction arrhythmias and reduce coronary flow and left ventricular systolic pressure in the isolated heart.

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