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ScientificNameLabel
8-acetonyldihydrochelerythrine
PHCD compound ID : 5182
Chemical Names :
8-acetonyldihydrochelerythrine
Molecular Formula : C24H23N1O5
Molecular Weight : 405.157623
More Details :
Names & Synonyms: 1-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)propan-2-one , 1-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)-2-propanone , 1-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)propan-2-one , 1-(1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)acetone
Smiles: COc1c(OC)ccc2c1[C@@H](CC(=O)C)N(C)c1c2ccc2c1cc1OCOc1c2
InChi : InChI=1S/C24H23NO5/c1-13(26)9-18-22-15(7-8-19(27-3)24(22)28-4)16-6-5-14-10-20-21(30-12-29-20)11-17(14)23(16)25(18)2/h5-8,10-11,18H,9,12H2,1-4H3/t18-/m1/s1
InChi Key : InChIKey=VGTQLFWIJIABSU-GOSISDBHSA-N
PubChem ID : 443700
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.476785
Hydrogen bond donor count : 0 Electric dipole moment : 2.589
XLogP : 2.987 VDW volume : 360.397562
Molecular weight : 405.157623 HOMO-LUMO gap : 7.602000
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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