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ScientificNameLabel
scutellarein 4’-methyl ether
PHCD compound ID : 5590
Chemical Names :
scutellarein 4’-methyl ether
Molecular Formula : C16H12O6
Molecular Weight : 300.063388
More Details :
Names & Synonyms: 5,6,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one , 5,6,7-trihydroxy-2-(4-methoxyphenyl)-1-benzopyran-4-one , 2-(4-methoxyphenyl)-5,6,7-tris(oxidanyl)chromen-4-one , 5,6,7-trihydroxy-2-(4-methoxyphenyl)chromone
Smiles: COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)O)O
InChi : InChI=1S/C16H12O6/c1-21-9-4-2-8(3-5-9)12-6-10(17)14-13(22-12)7-11(18)15(19)16(14)20/h2-7,18-20H,1H3
InChi Key : InChIKey=XVMMEYCPXZYLAI-UHFFFAOYSA-N
PubChem ID : 11174076
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.958179
Hydrogen bond donor count : 3 Electric dipole moment : 5.034
XLogP : 2.236 VDW volume : 258.072527
Molecular weight : 300.063388 HOMO-LUMO gap : 7.919000
Herb list :
Refrences & Litretures:
  
946.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2014'      Volume:'11'      Page:'1247'      DOI:'10.1002/cbdv.201400070'      Title:'Phytotoxic Potential of Onopordum acanthium L. (Asteraceae)'
947.      Journal:'Plants'      Year:'2019'      Volume:'8'      Page:'40'      DOI:'10.3390/plants8020040'      Title:'Traditional Medicine Plant, Onopordum acanthium L. (Asteraceae): Chemical Composition and Pharmacological Research'
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