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ScientificNameLabel
Bergapten
PHCD compound ID : 545
Chemical Names :
5-methoxypsoralen , Bergapten , 4-methoxy-7H-furo 3,2-g-1-benzopyran-7-one
Molecular Formula : C12H8O4
Molecular Weight : 216.042259
More Details :
Names & Synonyms: 4-methoxyfuro[3,2-g]chromen-7-one , 4-methoxy-7-furo[3,2-g][1]benzopyranone
Smiles: COc1c2ccc(=O)oc2cc2c1cco2
InChi : InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
InChi Key : InChIKey=BGEBZHIAGXMEMV-UHFFFAOYSA-N
PubChem ID : 2355
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.027614
Hydrogen bond donor count : 0 Electric dipole moment : 7.210
XLogP : 1.337 VDW volume : 176.581053
Molecular weight : 216.042259 HOMO-LUMO gap : 8.033000
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'
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'
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'
454.      Journal:'Scientific World'      Year:'2012'      Volume:'10'      Page:'13'      DOI:'10.3126/sw.v10i10.6854'      Title:'Quality assessment of the essential oils from Nardostachys jatamansi (d. Don) dc and Nardostachys chinensis batal obtained from Kathmandu valley market'
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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