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ScientificNameLabel
6-methoxydihydrosanguinarine
PHCD compound ID : 5170
Chemical Names :
6-methoxydihydrosanguinarine
Molecular Formula : C21H17N1O5
Molecular Weight : 363.110673
More Details :
Names & Synonyms: 23-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene , 23-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
Smiles: CO[C@@H]1c2c3OCOc3ccc2c2c(N1C)c1cc3OCOc3cc1cc2
InChi : InChI=1S/C21H17NO5/c1-22-19-13(4-3-11-7-16-17(8-14(11)19)26-9-25-16)12-5-6-15-20(27-10-24-15)18(12)21(22)23-2/h3-8,21H,9-10H2,1-2H3/t21-/m1/s1
InChi Key : InChIKey=MHPDDMNAUJQRSW-OAQYLSRUSA-N
PubChem ID : 14847270
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.275076
Hydrogen bond donor count : 0 Electric dipole moment : 2.215
XLogP : 3.056 VDW volume : 298.789608
Molecular weight : 363.110673 HOMO-LUMO gap : 7.550000
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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