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ScientificNameLabel
Canadine
PHCD compound ID : 5162
Chemical Names :
Canadine
Molecular Formula : C20H21N1O4
Molecular Weight : 339.147058
More Details :
Names & Synonyms: 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene , 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]heneicosa-2,4(8),9,15(20),16,18-hexaene , 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
Smiles: COc1c(OC)ccc2c1CN1CCc3c([C@@H]1C2)cc1c(c3)OCO1
InChi : InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1
InChi Key : InChIKey=VZTUIEROBZXUFA-INIZCTEOSA-N
PubChem ID : 34458
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.604121
Hydrogen bond donor count : 0 Electric dipole moment : 1.700
XLogP : 1.573 VDW volume : 301.232773
Molecular weight : 339.147058 HOMO-LUMO gap : 8.618000
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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