dracumerin

ScientificNameLabel

dracumerin
PHCD compound ID :	2004
Chemical Names :	dracumerin
Molecular Formula :	C13H10O2
Molecular Weight :	198.06808

More Details :

Names & Synonyms:	3-[(1E)-buta-1,3-dienyl]isochromen-1-one , 3-[(1E)-buta-1,3-dienyl]-2-benzopyran-1-one , 3-[(1E)-buta-1,3-dienyl]isocoumarin
Smiles:	C=C/C=C/c1cc2ccccc2c(=O)o1
InChi :	InChI=1S/C13H10O2/c1-2-3-7-11-9-10-6-4-5-8-12(10)13(14)15-11/h2-9H,1H2/b7-3+
InChi Key :	InChIKey=NCJLODXKOVAPFB-XVNBXDOJSA-N
PubChem ID :	11275633

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	8.847113
Hydrogen bond donor count :	0	Electric dipole moment :	3.122
XLogP :	2.571	VDW volume :	196.916584
Molecular weight :	198.06808	HOMO-LUMO gap :	7.710000

Herb list :

Tarragon, Wild dragon - Artemisia dracunculus - ترخون

Refrences & Litretures:


239. Journal:'J. Agric. Food Chem' Year:'2011' Volume:'59' Page:'11367' DOI:'10.1021/jf202277w' Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'

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