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Polyoxin K

CAT: 0804-HY-N14215Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N14215Size:1 Each
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Description
Polyoxin K is a nucleoside antifungal antibiotic and has significant effects on rice sheath blight[1].
CAS Number
22886-46-0
UNSPSC
12352211
Target
Antibiotic; Fungal
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Smiles
O=C1N([C@H]2[C@H](O)[C@H](O)[C@@H]([C@H](NC([C@H]([C@H](O)[C@H](COC(N)=O)O)N)=O)C(N3[C@H](C(O)=O)/C(C3)=C/C)=O)O2)C=CC(N1)=O
Molecular Formula
C22H30N6O13
Molecular Weight
586.51
References & Citations
[1]Tomoya Yoshinari, et al. Cross-genus inhibitory activity of polyoxins against aflatoxin production by Aspergillus parasiticus and fumonisin production by Fusarium fujikuroi. FEMS Microbiol Lett. 2022 Jul 28;369 (1) :fnac048.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Polyoxin K

Polyoxin K is an oligopeptide.

CAS Number22886-46-0
PubChem CID101593026
IUPAC Name(2S,3E)-1-[(2S)-2-[[(2S,3S,4S)-2-amino-5-carbamoyloxy-3,4-dihydroxypentanoyl]amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid
Molecular FormulaC22H30N6O13
Molecular Weight586.5
XLogP-7.9
Topological Polar Surface Area305
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity1160
SMILES
C/C=C/1\CN([C@@H]1C(=O)O)C(=O)[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)[C@H]([C@@H]([C@H](COC(=O)N)O)O)N
InChI
InChI=1S/C22H30N6O13/c1-2-7-5-28(12(7)20(36)37)18(35)11(26-17(34)10(23)13(31)8(29)6-40-21(24)38)16-14(32)15(33)19(41-16)27-4-3-9(30)25-22(27)39/h2-4,8,10-16,19,29,31-33H,5-6,23H2,1H3,(H2,24,38)(H,26,34)(H,36,37)(H,25,30,39)/b7-2+/t8-,10-,11-,12-,13+,14-,15+,16+,19+/m0/s1
InChIKey
ABZGUBNFEGMGPE-MQNVTSSDSA-N
Chemical Structure
2D Structure
2D structure of Polyoxin K
CAS: 22886-46-0
CID: 101593026
Formula: C22H30N6O13
MW: 586.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.5
XLogP3-7.9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count14
Rotatable Bond Count11
Exact Mass586.18708503
Monoisotopic Mass586.18708503
Topological Polar Surface Area305 Ų
Heavy Atom Count41
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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