Nothoapiole

Nothoapiole
Names
	Preferred IUPAC name 4,5,7-Trimethoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole
	Other names 2,3,6-Trimethoxy,4,5-methylenedioxy-allylbenzene; 1,3-Benzodioxole, 4,5,7-trimethoxy-6-(2-propen-1-yl)-
Identifiers
CAS Number	22934-74-3 ;
3D model (JSmol)	Interactive image;
ChemSpider	161286 ;
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PubChem CID	185518;
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	InChI InChI=1S/C13H16O5/c1-5-6-8-9(14-2)11(16-4)13-12(10(8)15-3)17-7-18-13/h5H,1,6-7H2,2-4H3 Key: IWGPXDGGZYMDJF-UHFFFAOYSA-N ; InChI=1S/C13H16O5/c1-5-6-8-9(14-2)11(16-4)13-12(10(8)15-3)17-7-18-13/h5H,1,6-7H2,2-4H3;
	SMILES COC1=C(C(=C(C2=C1OCO2)OC)OC)CC=C;
Properties
Chemical formula	C13H16O5
Molar mass	252.266 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Nothoapiole is a phenylpropene, a natural organic compound present in the essential oil of Perilla frutescens from Jeju Island in Korea^[1] and the major component of the essential oil obtained from the roots of Pleurospermum angelicoides Benth.^[2] It is also found in the essential oil of black caraway (Carum bulbocastanum) fruits^[3] and Carum nigrum.^[4]

This highly oxygenated phenylpropanoid, previously reported in a few Carum species, is structurally and biogenetically related to myristicin, apiole and dillapiole.^[5]^[6]

References

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