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ScientificNameLabel
Chelamine
PHCD compound ID : 5172
Chemical Names :
Chelamine
Molecular Formula : C20H19N1O6
Molecular Weight : 369.121237
More Details :
Names & Synonyms: (1S,11R,12R,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-11,12-diol , (1S,11R,12R,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-11,12-diol
Smiles: CN1Cc2c([C@@H]3[C@H]1c1cc4OCOc4cc1[C@H]([C@@H]3O)O)ccc1c2OCO1
InChi : InChI=1S/C20H19NO6/c1-21-6-12-9(2-3-13-20(12)27-8-24-13)16-17(21)10-4-14-15(26-7-25-14)5-11(10)18(22)19(16)23/h2-5,16-19,22-23H,6-8H2,1H3/t16-,17-,18-,19-/m1/s1
InChi Key : InChIKey=XELDZRKHHSSBOE-NCXUSEDFSA-N
PubChem ID : 15690611
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.798785
Hydrogen bond donor count : 2 Electric dipole moment : 5.198
XLogP : 0.363 VDW volume : 306.456767
Molecular weight : 369.121237 HOMO-LUMO gap : 8.526000
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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