Name: Antimicrobial agent-35
Rating: 5 (10 reviews)

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HIT ID:HIT219250851
Cas No:
常用名:Antimicrobial agent-35
IUPAC:(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-5,9,13-trimethyl-7-{2-[methyl({[1-(quinolin-3-yl)-1H-1,2,3-triazol-4-yl]methyl})amino]ethyl}-15-({[(3-methylphenyl)methyl]amino}methyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione
IUPAC:(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-5,9,13-trimethyl-7-{2-[methyl({[1-(quinolin-3-yl)-1H-1,2,3-triazol-4-yl]methyl})amino]ethyl}-15-({[(3-methylphenyl)methyl]amino}methyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione
InChI key:HUKOYGUSFYQQRD-HHSOKWOYSA-N

分子式:C52H73N7O8
分子量:924.197
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CCN(C)Cc2cn(nn2)-c2cnc3ccccc3c2)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CNCc1cccc(C)c1
SMILES:CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CCN(C)Cc2cn(nn2)-c2cnc3ccccc3c2)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CNCc1cccc(C)c1

Antimicrobial agent-35 (Compound c9) 在抑制S. aureus，E. coli，E. faecalis和S. maltophilia方面展现出显著的抗菌活性，其MIC范围为0.5-2 μg/mL。同时，该化合物对HT-22细胞具有一定的细胞毒性，IC50为130.4 μg/mL。

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