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ScientificNameLabel
8-hydroxydihydrochelerythrine
PHCD compound ID : 5171
Chemical Names :
8-hydroxydihydrochelerythrine
Molecular Formula : C21H19N1O5
Molecular Weight : 365.126323
More Details :
Names & Synonyms: 1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-ol , 1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridin-13-ol
Smiles: COc1c(OC)ccc2c1[C@@H](O)N(C)c1c2ccc2c1cc1OCOc1c2
InChi : InChI=1S/C21H19NO5/c1-22-19-13(5-4-11-8-16-17(9-14(11)19)27-10-26-16)12-6-7-15(24-2)20(25-3)18(12)21(22)23/h4-9,21,23H,10H2,1-3H3/t21-/m1/s1
InChi Key : InChIKey=RATMHCJTVBHJSU-OAQYLSRUSA-N
PubChem ID : 15940321
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.317649
Hydrogen bond donor count : 1 Electric dipole moment : 1.174
XLogP : 2.61 VDW volume : 311.146066
Molecular weight : 365.126323 HOMO-LUMO gap : 7.524000
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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