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1,(E)-1-oxo-3,4-dihydro-1 H-isochromen-7-yl 3-(3,4-dihydroxyphenyl) acrylate
PHCD compound ID : 5594
Chemical Names :
1,(E)-1-oxo-3,4-dihydro-1 H-isochromen-7-yl 3-(3,4-dihydroxyphenyl) acrylate
Molecular Formula : C18H14O6
Molecular Weight : 326.079038
More Details :
Names & Synonyms:
Smiles: O=C(Oc1ccc2c(c1)C(=O)OCC2)/C=C/c1ccc(c(c1)O)O
InChi : InChI=1S/C18H14O6/c19-15-5-1-11(9-16(15)20)2-6-17(21)24-13-4-3-12-7-8-23-18(22)14(12)10-13/h1-6,9-10,19-20H,7-8H2/b6-2+
InChi Key : InChIKey=AUWTYPJGEGCHGD-QHHAFSJGSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.183765
Hydrogen bond donor count : 2 Electric dipole moment : 6.112
XLogP : 3.189 VDW volume : 290.028038
Molecular weight : 326.079038 HOMO-LUMO gap : 7.935000
Herb list :
Refrences & Litretures:
  
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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