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ScientificNameLabel
Tanetin
PHCD compound ID : 1028
Chemical Names :
Tanetin
Molecular Formula : C18H16O7
Molecular Weight : 344.089603
More Details :
Names & Synonyms: 5,6-dihydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one , 5,6-dihydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one , 3,7-dimethoxy-2-(4-methoxyphenyl)-5,6-bis(oxidanyl)chromen-4-one , 5,6-dihydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)chromone
Smiles: COc1ccc(cc1)c1oc2cc(OC)c(c(c2c(=O)c1OC)O)O
InChi : InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)17-18(24-3)16(21)13-11(25-17)8-12(23-2)14(19)15(13)20/h4-8,19-20H,1-3H3
InChi Key : InChIKey=OIQSGZWRLLAFNQ-UHFFFAOYSA-N
PubChem ID : 10043097
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.732778
Hydrogen bond donor count : 2 Electric dipole moment : 2.760
XLogP : 2.368 VDW volume : 301.454723
Molecular weight : 344.089603 HOMO-LUMO gap : 7.828000
Herb list :
Refrences & Litretures:
  
106.      Journal:'Current Science'      Year:'2005'      Volume:'89'      Page:'1489'      DOI:''      Title:'Secondary metabolites of Chrysanthemum genus and their biological activities'
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