Name: Decatromicin B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322024
Cas No:235097-64-0
常用名:Decatromicin B
IUPAC:(1S,3S,6S,7Z,13R,16S,17S,18S,21R,22R)-17-{[(2R,4R,5S,6R)-5-(3,5-dichloro-1H-pyrrole-2-amido)-4-hydroxy-6-methyloxan-2-yl]oxy}-3,22-diethyl-27-hydroxy-6,8,18-trimethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,10,14,24(27)-pentaene-4-carboxylic acid
IUPAC:(1S,3S,6S,7Z,13R,16S,17S,18S,21R,22R)-17-{[(2R,4R,5S,6R)-5-(3,5-dichloro-1H-pyrrole-2-amido)-4-hydroxy-6-methyloxan-2-yl]oxy}-3,22-diethyl-27-hydroxy-6,8,18-trimethyl-23,25-dioxo-26-oxapentacyclo[22.2.1.0^{1,6}.0^{13,22}.0^{16,21}]heptacosa-4,7,10,14,24(27)-pentaene-4-carboxylic acid
InChI key:OKYWSSBYCHUWKT-RILGONRKSA-N

分子式:C45H56Cl2N2O10
分子量:855.85
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC=CC\C(C)=C/[C@@]3(C)C=C([C@@H](CC)C[C@]33OC(=O)C(=C3O)C(=O)[C@@]1(CC)[C@]1([H])CC[C@H](C)[C@H](O[C@H]3C[C@@H](O)[C@H](NC(=O)c4[nH]c(Cl)cc4Cl)[C@@H](C)O3)[C@@]1([H])C=C2)C(O)=O |c:7,11,22,63|
SMILES:[H][C@]12CC=CC\C(C)=C/[C@@]3(C)C=C([C@@H](CC)C[C@]33OC(=O)C(=C3O)C(=O)[C@@]1(CC)[C@]1([H])CC[C@H](C)[C@H](O[C@H]3C[C@@H](O)[C@H](NC(=O)c4[nH]c(Cl)cc4Cl)[C@@H](C)O3)[C@@]1([H])C=C2)C(O)=O |c:7,11,22,63|

Decatromicin B is a bacterial metabolite that has been found in Actinomadura. It is active against Gram-positive bacteria, including several strains of S. aureus (MICs = 0.39-0.78 μg/ml), two strains of methicillin-resistant S. aureus (MRSA; MICs = 0.39 and 0.78 μg/ml), as well as M. luteus, B. subtilis, and C. bovis (MICs = 0.78, 0.78, and 6.25 μg/ml, respectively).

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