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ScientificNameLabel
pectolarigenin
PHCD compound ID : 5589
Chemical Names :
pectolarigenin , Pectolinarigenin
Molecular Formula : C17H14O6
Molecular Weight : 314.079038
More Details :
Names & Synonyms: 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)chromen-4-one , 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one , 6-methoxy-2-(4-methoxyphenyl)-5,7-bis(oxidanyl)chromen-4-one , 5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)chromone
Smiles: COc1ccc(cc1)c1cc(=O)c2c(o1)cc(c(c2O)OC)O
InChi : InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3
InChi Key : InChIKey=GPQLHGCIAUEJQK-UHFFFAOYSA-N
PubChem ID : 5320438
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.027895
Hydrogen bond donor count : 2 Electric dipole moment : 7.527
XLogP : 1.699 VDW volume : 275.368512
Molecular weight : 314.079038 HOMO-LUMO gap : 8.040000
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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