11118-72-2 (抗霉素,Antimycin)

快速询单

结构式：

抗霉素MOL文件

CAS号：

11118-72-2

中文名称：

抗霉素

英文名称：

Antimycin

分子式：

C₁₃H₁₄O₅

分子量：

250.247264385223

抗霉素(11118-72-2)名称与标识符

名称

英文别名：

Antimycin;(3R,4S)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid;<p>(3R,4S)-6-Hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid</p>;Q27121344;BS-1351;Q29553692;NCGC00095228-01;Citrinin; Meleamycin;1329611-85-9;6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid;CHEBI:48709;CQIUKKVOEOPUDV-UHFFFAOYSA-N;FT-0602942;8-Hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-isochromene-7-carboxylic acid;HB3839;11118-72-2;NCGC00095228-02;CHEMBL495067;3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3S-trans)-;BDBM50565695;(-)-Citrinin-13C,d2;

标识符

InChIKey：

CBGDIJWINPWWJW-UHFFFAOYSA-N

Inchi：

1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)

SMILES：

O1C=C2C(C(C(=O)O)=C(C(C)=C2C(C)C1C)O)=O

抗霉素(11118-72-2)物化性质

实验特性

LogP : 1.72100
PSA : 83.83
折射率 : 1.596
沸点 : 409.826°C at 760 mmHg
闪点 : 156.641°C
密度 : 1.379

计算特性

精确分子量 : 250.08412
氢键供体数量 : 2
氢键受体数量 : 5
可旋转化学键数量 : 1
同位素质量 : 250.08412354g/mol
重原子数量 : 18
复杂度 : 536
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 2
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.7
拓扑分子极性表面积 : 83.8Å²

抗霉素(11118-72-2)安全信息

安全术语： Poison by ingestion and intraperitoneal routes.
储存条件：库房通风低温干燥,与食品原料分开存放

抗霉素(11118-72-2)相关文献

1. Comparative transcriptomic analysis reveals the regulatory effects of inorganic nitrogen on the biosynthesis of Monascus pigments and citrinin
Jia-Li Hong,Li Wu,Jin-Qiang Lu,Wen-Bin Zhou,Ying-Jia Cao,Wen-Long Lv,Bin Liu,Ping-Fan Rao,Li Ni,Xu-Cong Lv RSC Adv. 2020 10 5268
2. Formation of a new toxic compound, citrinin H1, from citrinin on mild heating in water
Alka Ben Trivedi,Mitsuru Hirota,Etsushiro Doi,Naofumi Kitabatake J. Chem. Soc. Perkin Trans. 1 1993 2167
3. Citrinin revisited: from monomers to dimers and beyond
Benjamin R. Clark,Robert J. Capon,Ernest Lacey,Shaun Tennant,Jennifer H. Gill Org. Biomol. Chem. 2006 4 1520
4. The molecular steps of citrinin biosynthesis in fungi
Yi He,Russell J. Cox Chem. Sci. 2016 7 2119
5. Classic fungal natural products in the genomic age: the molecular legacy of Harold Raistrick
Raissa Schor,Russell Cox Nat. Prod. Rep. 2018 35 230
6. 334. The chemistry of fungi. Part VII. Syntheses of citrinin and dihydrocitrinin
N. J. Cartwright,Alexander Robertson,W. B. Whalley J. Chem. Soc. 1949 1563
7. The structure of citrinin in vivo
Jill Barber,Julia L. Cornford,Tina D. Howard,Derek Sharplese J. Chem. Soc. Perkin Trans. 1 1987 2743
8. 184. The chemistry of fungi. Part V. The constitution of citrinin
J. P. Brown,Alexander Robertson,W. B. Whalley,N. J. Cartwright J. Chem. Soc. 1949 867
9. The biosynthesis of citrinin by Penicillium citrinum
Jill Barber,Rachel H. Carter,Mary J. Garson,James Staunton J. Chem. Soc. Perkin Trans. 1 1981 2577
10. New insights into polyketide metabolism; the use of protium as a tracer in the biosynthesis of citrinin by Penicillium citrinum
Jill Barber,James Staunton J. Chem. Soc. Perkin Trans. 1 1980 2244