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Sphondin

CAS No.:
483-66-9
Catalog Number:
AG006WUA
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
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Product Description
Catalog Number:
AG006WUA
Chemical Name:
Sphondin
CAS Number:
483-66-9
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
MDL Number:
MFCD00597230
IUPAC Name:
6-methoxyfuro[2,3-h]chromen-2-one
InChI:
InChI=1S/C12H8O4/c1-14-9-6-7-2-3-10(13)16-11(7)8-4-5-15-12(8)9/h2-6H,1H3
InChI Key:
DLCJNIBLOSKIQW-UHFFFAOYSA-N
SMILES:
COc1cc2ccc(=O)oc2c2c1occ2
Properties
Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.042g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.192g/mol
Monoisotopic Mass:
216.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
The Canadian medicinal plant Heracleum maximum contains antimycobacterial diynes and furanocoumarins. Journal of ethnopharmacology 20130502
[Chemical constituents of Incarvillea younghusbandii]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20100101
[Studies on the chemical constituents of the aerial parts of Seseli mairei]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20070101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
The furanocoumarins in the roots of Heracleum sibiricum L. Acta poloniae pharmaceutica 20030101
Effects of sphondin, isolated from Heracleum laciniatum, on IL-1beta-induced cyclooxygenase-2 expression in human pulmonary epithelial cells. Life sciences 20021129
Properties