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daphnetin 7-methyl ether
ScientificNameLabel
daphnetin 7-methyl ether
PHCD compound ID :
2010
Chemical Names :
daphnetin 7-methyl ether
Molecular Formula :
C10H8O4
Molecular Weight :
192.042259
More Details :
Names & Synonyms:
8-hydroxy-7-methoxy-chromen-2-one , 8-hydroxy-7-methoxy-1-benzopyran-2-one , 8-hydroxy-7-methoxychromen-2-one , 7-methoxy-8-oxidanyl-chromen-2-one , 8-hydroxy-7-methoxy-coumarin
Smiles:
COc1ccc2c(c1O)oc(=O)cc2
InChi :
InChI=1S/C10H8O4/c1-13-7-4-2-6-3-5-8(11)14-10(6)9(7)12/h2-5,12H,1H3
InChi Key :
InChIKey=KIGCGZUAVODHMD-UHFFFAOYSA-N
PubChem ID :
146487
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
4
Ionization potential :
8.868311
Hydrogen bond donor count :
1
Electric dipole moment :
5.597
XLogP :
0.97
VDW volume :
167.882001
Molecular weight :
192.042259
HOMO-LUMO gap :
7.744000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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