Herniarin

Herniarin is a natural chemical compound. Chemically, it can be considered a methoxy derivative of coumarin or a methyl derivative of umbelliferone.

Herniarin

Names
IUPAC name 7-Methoxychromen-2-one
Other names 7-O-Methylumbelliferone 7-Methoxycoumarin Ayapanin Herniarine Methyl umbelliferyl ether
Identifiers
CAS Number	531-59-9
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL49732
ChemSpider	10295
ECHA InfoCard	100.007.741
PubChem CID	10748
UNII	DGK72G008A
CompTox Dashboard (EPA)	DTXSID5060196
InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3 Key: LIIALPBMIOVAHH-UHFFFAOYSA-N InChI=1/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3 Key: LIIALPBMIOVAHH-UHFFFAOYAW
SMILES O=C/2Oc1cc(OC)ccc1\C=C\2
Properties
Chemical formula	C10H8O3
Molar mass	176.171 g·mol^−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Herniarin is found in Herniaria glabra,[1] Ayapana triplinervis and in species of the genus Prunus (P. mahaleb, P. pensylvanica, and P. maximowiczii).[2]

References

1. "Herniarin". liberherbarum.com.
2. Santamour F. S. and Riedel L. G. H. (1994). "Distribution and inheritance of scopolin and herniarin in some Prunus species". Biochemical Systematics and Ecology. 22 (2): 197–201. doi:10.1016/0305-1978(94)90008-6.