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ScientificNameLabel
Isopimpinellin
PHCD compound ID : 2682
Chemical Names :
Isopimpinellin , 5,8-Dimethoxypsoralen
Molecular Formula : C13H10O5
Molecular Weight : 246.052823
More Details :
Names & Synonyms: 4,9-dimethoxyfuro[3,2-g]chromen-7-one , 4,9-dimethoxy-7-furo[3,2-g][1]benzopyranone
Smiles: COc1c2ccc(=O)oc2c(c2c1cco2)OC
InChi : InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
InChi Key : InChIKey=DFMAXQKDIGCMTL-UHFFFAOYSA-N
PubChem ID : 68079
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.551981
Hydrogen bond donor count : 0 Electric dipole moment : 6.371
XLogP : 1.577 VDW volume : 202.667264
Molecular weight : 246.052823 HOMO-LUMO gap : 7.550000
Herb list :
Refrences & Litretures:
  
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
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'
867.      Journal:'Parasitol Res'      Year:'2013'      Volume:'112'      Page:'1197'      DOI:'10.1007/s00436-012-3251-9'      Title:'Essential oil composition and larvicidal activity of Toddalia asiatica roots against the mosquito Aedes albopictus (Diptera: Culicidae)'
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