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ScientificNameLabel
2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one
PHCD compound ID : 578
Chemical Names :
4H-Pyran-4-one,2,3-dihydro-3,5-dihydroxy-6-methyl- , 2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one , 4H-Pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl , 2,3-dihydro-3,5-dihydroxy-6-methyl 4H-pyran-4-one
Molecular Formula : C6H8O4
Molecular Weight : 144.042259
More Details :
Names & Synonyms: 3,5-dihydroxy-6-methyl-2,3-dihydropyran-4-one , 6-methyl-3,5-bis(oxidanyl)-2,3-dihydropyran-4-one
Smiles: O[C@H]1COC(=C(C1=O)O)C
InChi : InChI=1S/C6H8O4/c1-3-5(8)6(9)4(7)2-10-3/h4,7-8H,2H2,1H3/t4-/m0/s1
InChi Key : InChIKey=VOLMSPGWNYJHQQ-BYPYZUCNSA-N
PubChem ID : 119838
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.144609
Hydrogen bond donor count : 2 Electric dipole moment : 1.982
XLogP : 0.327 VDW volume : 129.863897
Molecular weight : 144.042259 HOMO-LUMO gap : 8.514000
Herb list :
Refrences & Litretures:
  
34.      Journal:'J Sci Food Agric'      Year:'2014'      Volume:'94'      Page:'2179'      DOI:'10.1002/jsfa.6533'      Title:'Chemical composition and bioactivity of dried fruits and honey of Ficus carica cultivars Dottato, San Francesco and Citrullara'
183.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'543'      DOI:'10.1080/0972060X.2011.10643971'      Title:'Chemical Compositions of Salix aegyptiaca. L. Obtained by Simultaneous Hydrodistilation and Extraction'
195.      Journal:'Int J Pharm Pharm Sci'      Year:'2014'      Volume:'6'      Page:'60'      DOI:''      Title:'GAS CHROMATOGRAPHY AND MASS SPECTROMETRY ANALYSIS OF BIOACTIVE CONSTITUENTS OF ADIANTUM CAPILLUS-VENERIS L'
318.      Journal:'International Journal of Biological & Pharmaceutical Research'      Year:'2013'      Volume:'4'      Page:'523'      DOI:''      Title:'DETERMINATION OF BIOLOGICALLY ACTIVE CONSTITUENTS OF THE FRUITS OF CUCUMIS SATIVUS LINN. USING GC- MS ANALYSIS'
656.      Journal:'Int. J. LifeSc. Bt & Pharm. Res'      Year:'2012'      Volume:'1'      Page:'164'      DOI:''      Title:'ANTIBACTERIAL ACTIVITY OF PUNICA GRANATUM PEEL EXTRACTS AGAINST SHIGA TOXIN PRODUCING E. COLI'
753.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'18'      Page:'508'      DOI:'org/10.1080/10412905.2006.9699155'      Title:'Identification of the Key Aroma Compounds in Dried Roots of Isatis tinctoria'
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