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ScientificNameLabel
Dihydrocoptisine
PHCD compound ID : 5157
Chemical Names :
Dihydrocoptisine
Molecular Formula : C19H16N1O4
Molecular Weight : 322.107933
More Details :
Names & Synonyms: 5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,13,15(23),16(20),21-heptaene , 5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,13,15(23),16(20),21-heptaene
Smiles: C1Oc2c(O1)cc1c(c2)CC[N+]2=Cc3c(C[C@H]12)ccc1c3OCO1
InChi : InChI=1S/C19H16NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-8,15H,3-5,9-10H2/q+1/t15-/m1/s1
InChi Key : InChIKey=VWCULCMFJSVNCB-OAHLLOKOSA-N
PubChem ID : 101902413
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 11.623756
Hydrogen bond donor count : 0 Electric dipole moment : 5.005
XLogP : 1.332 VDW volume : 270.2621
Molecular weight : 322.107933 HOMO-LUMO gap : 6.630000
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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