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ScientificNameLabel
psoralen
PHCD compound ID : 544
Chemical Names :
psoralen , psoralene
Molecular Formula : C11H6O3
Molecular Weight : 186.031694
More Details :
Names & Synonyms: furo[3,2-g]chromen-7-one , 7-furo[3,2-g][1]benzopyranone
Smiles: O=c1ccc2c(o1)cc1c(c2)cco1
InChi : InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
InChi Key : InChIKey=ZCCUUQDIBDJBTK-UHFFFAOYSA-N
PubChem ID : 6199
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.258025
Hydrogen bond donor count : 0 Electric dipole moment : 5.298
XLogP : 1.097 VDW volume : 150.494841
Molecular weight : 186.031694 HOMO-LUMO gap : 7.979000
Herb list :
Refrences & Litretures:
  
33.      Journal:'J. Agric. Food Chem'      Year:'2014'      Volume:'62'      Page:'10076'      DOI:'10.1021/jf5025938'      Title:'Identi?cation of Phenylpropanoids in Fig (Ficus carica L.) Leaves'
35.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'548'      DOI:'10.1016/j.foodchem.2010.04.064'      Title:'Volatile pro?ling of Ficus carica varieties by HS-SPME and GC–IT-MS'
37.      Journal:'J. Agric. Food Chem'      Year:'2010'      Volume:'58'      Page:'3393'      DOI:'10.1021/jf9039759'      Title:'Chemical Assessment and in Vitro Antioxidant Capacity of Ficus carica Latex'
429.      Journal:'Planta Med'      Year:'2009'      Volume:'75'      Page:'195'      DOI:'10.1055/s-0028-1088397'      Title:'In silico Target Fishing for Rationalized Ligand Discovery Exemplified on Constituents of Ruta graveolens'
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