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ScientificNameLabel
8-oxycoptisine
PHCD compound ID : 5159
Chemical Names :
8-oxycoptisine
Molecular Formula : C19H13N1O5
Molecular Weight : 335.079373
More Details :
Names & Synonyms: 5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-one , 5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-one
Smiles: O=c1c2c(ccc3c2OCO3)cc2n1CCc1c2cc2c(c1)OCO2
InChi : InChI=1S/C19H13NO5/c21-19-17-11(1-2-14-18(17)25-9-22-14)5-13-12-7-16-15(23-8-24-16)6-10(12)3-4-20(13)19/h1-2,5-7H,3-4,8-9H2
InChi Key : InChIKey=UCAFJBSQKXVPDX-UHFFFAOYSA-N
PubChem ID : 5245667
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.126966
Hydrogen bond donor count : 0 Electric dipole moment : 3.383
XLogP : 1.607 VDW volume : 275.097638
Molecular weight : 335.079373 HOMO-LUMO gap : 7.165000
Herb list :
Refrences & Litretures:
  
819.      Journal:'Chemistry and Ecology'      Year:'2018'      Volume:'34'      Page:'582'      DOI:'10.1080/02757540.2018.1462345'      Title:'Chemical composition and antifungal activity of Chelidonium majus extracts – antagonistic action of chelerythrine and sanguinarine against Botrytis cinerea'
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