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ScientificNameLabel
Umbelliferon
PHCD compound ID : 3214
Chemical Names :
Umbelliferone , Umbelliferon
Molecular Formula : C9H6O3
Molecular Weight : 162.031694
More Details :
Names & Synonyms: 7-hydroxychromen-2-one , 7-hydroxy-1-benzopyran-2-one , 7-oxidanylchromen-2-one , umbelliferone
Smiles: Oc1ccc2c(c1)oc(=O)cc2
InChi : InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
InChi Key : InChIKey=ORHBXUUXSCNDEV-UHFFFAOYSA-N
PubChem ID : 5281426
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.425977
Hydrogen bond donor count : 1 Electric dipole moment : 6.079
XLogP : 0.73 VDW volume : 141.79579
Molecular weight : 162.031694 HOMO-LUMO gap : 8.300000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
512.      Journal:'Food Chemistry'      Year:'1990'      Volume:'38'      Page:'119'      DOI:''      Title:'Liquorice, Glycyrrhiza glabra L. - Composition, Uses and Analysis'
672.      Journal:'Molecules'      Year:'2012'      Volume:'17'      Page:'11173'      DOI:'10.3390/molecules170911173'      Title:'Chemical Composition of Hexane Extract of Citrus aurantifolia and Anti-Mycobacterium tuberculosis Activity of Some of Its Constituents'
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