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Isobergapten (Standard)

CAT: 0804-HY-N0764RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N0764RSize:1 Each
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Description
Isobergapten (Standard) is the analytical standard of Isobergapten. This product is intended for research and analytical applications. Isobergapten is an allelopathic inhibitor isolated from seeds of Hevacleum laciniatum[1].
CAS Number
482-48-4
UNSPSC
12352005
Target
Others; Reference Standards
Type
Reference Standards
Related Pathways
Others
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/isobergapten-standard.html
Smiles
O=C1C=CC2=C(OC)C=C(OC=C3)C3=C2O1
Molecular Formula
C12H8O4
Molecular Weight
216.19
References & Citations
[1]OLAVI JUNTTILA, et al. Allelopathic Inhibitors in Seeds of Hevacleum laciniatum. Physiologia Plantarum. 1976.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Isobergapten

Isobergapten is a furanocoumarin.

CAS Number482-48-4
PubChem CID68082
IUPAC Name5-methoxyfuro[2,3-h]chromen-2-one
Molecular FormulaC12H8O4
Molecular Weight216.19
XLogP2
Topological Polar Surface Area48.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity325
SMILES
COC1=C2C=CC(=O)OC2=C3C=COC3=C1
InChI
InChI=1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3
InChIKey
AJSPSRWWZBBIOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isobergapten
CAS: 482-48-4
CID: 68082
Formula: C12H8O4
MW: 216.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.19
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass216.04225873
Monoisotopic Mass216.04225873
Topological Polar Surface Area48.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity325
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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CatalogName
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