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Echinosporin

CAT: 0804-HY-113799Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-113799Size:1 Each
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Description
Echinosporin (XK-213) is an antibiotic. Echinosporin can be isolated from Amycolatopsis strain. Echinosporin has antifungal activity and antitumor activity[1][2].
CAS Number
79127-35-8
Product Name Alternative
XK-213
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Antibiotic; Fungal
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/echinosporin.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=C[C@@]([C@@](C(O2)=O)(O)C=C3)([H])[C@@]3([H])[C@@]2([H])O1)N
Molecular Formula
C10H9NO5
Molecular Weight
223.18
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]T Sato, et al. A new antibiotic echinosporin (XK-213) - producing organism, isolation and characterization. J Antibiot (Tokyo) . 1982 Mar;35 (3) :266-71. |[2]Xindong Xu, et al. Echinosporin antibiotics isolated from Amycolatopsis strain and their antifungal activity against root-rot pathogens of the Panax notoginseng. Folia Microbiol (Praha) . 2019 Mar;64 (2) :171-175.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Echinosporin

from Streptomyces echinosporus MK-213; structure given in first source

CAS Number79127-35-8
PubChem CID6713074
IUPAC Name(1S,4S,7S,8S)-4-hydroxy-3-oxo-2,11-dioxatricyclo[5.4.0.04,8]undeca-5,9-diene-10-carboxamide
Molecular FormulaC10H9NO5
Molecular Weight223.18
XLogP-0.6
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity454
SMILES
C1=C[C@@]2([C@@H]3[C@H]1[C@@H](OC(=C3)C(=O)N)OC2=O)O
InChI
InChI=1S/C10H9NO5/c11-7(12)6-3-5-4-1-2-10(5,14)9(13)16-8(4)15-6/h1-5,8,14H,(H2,11,12)/t4-,5-,8-,10-/m0/s1
InChIKey
OXSZHYWOGQJUST-PDXIVQBHSA-N
Chemical Structure
2D Structure
2D structure of Echinosporin
CAS: 79127-35-8
CID: 6713074
Formula: C10H9NO5
MW: 223.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.18
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass223.04807239
Monoisotopic Mass223.04807239
Topological Polar Surface Area98.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
E088-0.5MGEchinosporin
207160-01Echinosporin (NSC357683, XK 213, (1S,4aS,5S,7aS) -5-Hydroxy-8-oxo-1,4a,5,7a-tetrahydro-1,5- (epoxymethano) cyclopenta[c] pyran-3-carboxamide)

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