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Eupatarone

CAT: 0804-HY-119901-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-119901-01Size:1 mg
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Description
Eupatarone (Caleprunin B) is a bacterial inhibitor. Eupatarone can be obtained from Calea platylepis[1].
CAS Number
17249-61-5
Product Name Alternative
Caleprunin B
UNSPSC
12352005
Hazard Statement
H300+H310+H330-H410
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/eupatarone.html
Solubility
10 mM in DMSO
Smiles
O=C(C)C1=CC2=CC(OC)=C(C=C2O1)OC
Molecular Formula
C12H12O4
Molecular Weight
220.22
Precautions
P260-P262-P264-P270-P271-P273-P280-P284-P302+P352-P304+P340-P330-P361+P364-P391-P405-P501
References & Citations
[1]do Nascimento AM, et al. Antimicrobial activity of extracts and some compounds from Calea platylepis. Fitoterapia. 2004 Jul;75 (5) :514-9.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Caleprunin B
CAS Number17249-61-5
PubChem CID176913
IUPAC Name1-(5,6-dimethoxy-1-benzofuran-2-yl)ethanone
Molecular FormulaC12H12O4
Molecular Weight220.22
XLogP2.3
Topological Polar Surface Area48.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity266
SMILES
CC(=O)C1=CC2=CC(=C(C=C2O1)OC)OC
InChI
InChI=1S/C12H12O4/c1-7(13)9-4-8-5-11(14-2)12(15-3)6-10(8)16-9/h4-6H,1-3H3
InChIKey
PBFSOUHYSIPPGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Caleprunin B
CAS: 17249-61-5
CID: 176913
Formula: C12H12O4
MW: 220.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.22
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass220.07355886
Monoisotopic Mass220.07355886
Topological Polar Surface Area48.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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