Name: Geninthiocin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322043
Cas No:158792-27-9
常用名:Geninthiocin A
IUPAC:N-(1-carbamoyleth-1-en-1-yl)-2-{[(14S,17Z,27S)-17-ethylidene-14-[(1R)-1-hydroxyethyl]-27-(2-hydroxypropan-2-yl)-33-methyl-24,30,37,40-tetramethylidene-12,15,22,25,28,35,38-heptaoxo-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecaazahexacyclo[39.2.1.1^{8,11}.1^{18,21}.1^{31,34}.0^{2,7}]heptatetraconta-1(43),2(7),3,5,8(47),10,18(46),20,31(45),33,41(44)-undecaen-4-yl]formamido}prop-2-enamide
IUPAC:N-(1-carbamoyleth-1-en-1-yl)-2-{[(14S,17Z,27S)-17-ethylidene-14-[(1R)-1-hydroxyethyl]-27-(2-hydroxypropan-2-yl)-33-methyl-24,30,37,40-tetramethylidene-12,15,22,25,28,35,38-heptaoxo-19,32,42-trioxa-9-thia-3,13,16,23,26,29,36,39,44,45,46,47-dodecaazahexacyclo[39.2.1.1^{8,11}.1^{18,21}.1^{31,34}.0^{2,7}]heptatetraconta-1(43),2(7),3,5,8(47),10,18(46),20,31(45),33,41(44)-undecaen-4-yl]formamido}prop-2-enamide
InChI key:JNUIXQXFKIJDIV-AQJAKWKPSA-N

分子式:C50H49N15O15S
分子量:1132.09
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)c2csc(n2)-c2ccc(nc2-c2coc(n2)C(=C)NC(=O)C(=C)NC(=O)c2nc(oc2C)C(=C)NC(=O)[C@@H](NC(=O)C(=C)NC(=O)c2coc(n2)\C(NC1=O)=C\C)C(C)(C)O)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)[C@@H](C)O
SMILES:[H][C@]1(NC(=O)c2csc(n2)-c2ccc(nc2-c2coc(n2)C(=C)NC(=O)C(=C)NC(=O)c2nc(oc2C)C(=C)NC(=O)[C@@H](NC(=O)C(=C)NC(=O)c2coc(n2)\C(NC1=O)=C\C)C(C)(C)O)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)[C@@H](C)O

Geninthiocin A is a cyclic thiopeptide bacterial metabolite originally isolated from Streptomyces sp. DD84. It is active against a variety of Gram-positive bacteria (MICs = 0.2-4 μg/ml), the Gram-negative bacterium C. violaceum (MIC = 19 μg/ml), and the fungus M. hiemalis (MIC = 38 μg/ml). Geninthiocin A also induces tipA promoter transcription with a minimum induction concentration of 1.2 ng/ml.

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