Cas no 53348-47-3 (gliotoxin G)
gliotoxin G structure
Product Name:gliotoxin G
CAS No:53348-47-3
MF:C13H14N2O4S4
MW:390.52125787735
CID:2006818
PubChem ID:3007092
Update Time:2025-04-21
gliotoxin G Chemical and Physical Properties
Names and Identifiers
-
- gliotoxin G
- (3R)-2,3,5aβ,6α-Tetrahydro-6β-hydroxy-3β-(hydroxymethyl)-2-methyl-10H-3α,10aα-epitetrathiopyrazino[1,2-a]indole-1,4-dione
- (1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-17-methyl-12,13,14,15-tetrathia-9,17-diazatetracyclo[9.4.2.01,9.03,8]heptadeca-3,5-diene-10,16-dione
- CHEMBL1950962
- CHEBI:224212
- BDBM50364112
- 53348-47-3
- (1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-17-methyl-12,13,14,15-tetrathia-9,17-diazatetracyclo(9.4.2.01,9.03,8)heptadeca-3,5-diene-10,16-dione
- 12H-5,12a-(Iminomethano)[1,2,3,4,6]tetrathiazocino[6,5-a]indole-6,13(5H)-dione, 7a,8-dihydro-8-hydroxy-5-(hydroxymethyl)-14-methyl-, (5R,7aS,8S,12aR)-
-
- Inchi： 1S/C13H14N2O4S4/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-23-22-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1
- InChI Key： TZBWGHOEGGDHNR-RBJBARPLSA-N
- SMILES： S1[C@]23C(N(C)[C@@](CO)(C(N2[C@@H]2[C@H](C=CC=C2C3)O)=O)SSS1)=O
Computed Properties
- Exact Mass: 389.98364163Da
- Monoisotopic Mass: 389.98364163Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 656
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 182?2
gliotoxin G Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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