Name: 19,20-Epoxycytochalasin D
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320624
Cas No:191349-10-7
常用名:19,20-Epoxycytochalasin D
IUPAC:(1R,2S,3S,5R,6R,8S,10E,12R,13S,15S,16R,17S)-17-benzyl-6,13-dihydroxy-6,8,15-trimethyl-14-methylidene-7,19-dioxo-4-oxa-18-azatetracyclo[10.7.0.0^{1,16}.0^{3,5}]nonadec-10-en-2-yl acetate
IUPAC:(1R,2S,3S,5R,6R,8S,10E,12R,13S,15S,16R,17S)-17-benzyl-6,13-dihydroxy-6,8,15-trimethyl-14-methylidene-7,19-dioxo-4-oxa-18-azatetracyclo[10.7.0.0^{1,16}.0^{3,5}]nonadec-10-en-2-yl acetate
InChI key:WHJRAYUHVRYTTH-MQQXPATASA-N

分子式:C30H37NO7
分子量:523.626
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@@]1([H])[C@@](C)(O)C(=O)[C@@H](C)C\C=C\[C@@]1([H])[C@H](O)C(=C)[C@@H](C)[C@@]3([H])[C@H](Cc4ccccc4)NC(=O)[C@@]13[C@@H]2OC(C)=O |t:14|
SMILES:[H][C@@]12O[C@@]1([H])[C@@](C)(O)C(=O)[C@@H](C)C\C=C\[C@@]1([H])[C@H](O)C(=C)[C@@H](C)[C@@]3([H])[C@H](Cc4ccccc4)NC(=O)[C@@]13[C@@H]2OC(C)=O |t:14|

19,20-Epoxycytochalasin D is a fungal metabolite that has been found in the endophytic fungus Nemania sp. UM10M. It is active against the chloroquine-sensitive and -resistant strains of P. falciparum (MIC = 0.4 ng/ml for both) without inducing cytotoxicity in Vero cells. It is cytotoxic to BT-549, LLC-PK11, and P388 cells (IC50s = 7.84, 8.4, and 0.16 &#181M, respectively) but not SK-MEL, KB, or SKOV3 cells up to a concentration of 10 &#181M.

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