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ScientificNameLabel
Citropten
PHCD compound ID : 1234
Chemical Names :
Citropten , 5,7-Dimethoxycoumarin
Molecular Formula : C11H10O4
Molecular Weight : 206.057909
More Details :
Names & Synonyms: 5,7-dimethoxychromen-2-one , 5,7-dimethoxy-1-benzopyran-2-one , 5,7-dimethoxycoumarin
Smiles: COc1cc(OC)c2c(c1)oc(=O)cc2
InChi : InChI=1S/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
InChi Key : InChIKey=NXJCRELRQHZBQA-UHFFFAOYSA-N
PubChem ID : 2775
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.150543
Hydrogen bond donor count : 0 Electric dipole moment : 5.773
XLogP : 1.291 VDW volume : 185.177985
Molecular weight : 206.057909 HOMO-LUMO gap : 8.401000
Herb list :
Refrences & Litretures:
  
129.      Journal:'Natural Product Research'      Year:'2011'      Volume:'25'      Page:'789'      DOI:'10.1080/14786410902900085'      Title:'Chemical composition and bioactivity of Citrus medica L. cv. Diamante essential oil obtained by hydrodistillation, cold-pressing and supercritical carbon dioxide extraction'
132.      Journal:'Phytother. Res'      Year:'2007'      Volume:'21'      Page:'427'      DOI:'10.1002/ptr.2077'      Title:'In vitro Activities of Citrus medica L. cv. Diamante (Diamante citron) relevant to Treatment of Diabetes and Alzheimer’s disease'
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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