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ScientificNameLabel
Dihydrochelerythrine
PHCD compound ID : 5164
Chemical Names :
Dihydrochelerythrine
Molecular Formula : C21H19N1O4
Molecular Weight : 349.131408
More Details :
Names & Synonyms: 1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine , 1,2-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Smiles: COc1c(OC)ccc2c1CN(C)c1c2ccc2c1cc1OCOc1c2
InChi : InChI=1S/C21H19NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-9H,10-11H2,1-3H3
InChi Key : InChIKey=ALZAZMCIBRHMFF-UHFFFAOYSA-N
PubChem ID : 485077
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.141552
Hydrogen bond donor count : 0 Electric dipole moment : 3.594
XLogP : 3.079 VDW volume : 302.35584
Molecular weight : 349.131408 HOMO-LUMO gap : 7.549000
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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