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ScientificNameLabel
Macarpine
PHCD compound ID : 5180
Chemical Names :
Macarpine
Molecular Formula : C22H18N1O6
Molecular Weight : 392.113412
More Details :
Names & Synonyms: 11,15-dimethoxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21,23-nonaene , 11,15-dimethoxy-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14,16,21,23-nonaene
Smiles: COc1cc2c3c(OC)cc4c(c3c[n+](c2c2c1cc1OCOc1c2)C)OCO4
InChi : InChI=1S/C22H18NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-8H,9-10H2,1-3H3/q+1
InChi Key : InChIKey=SBVRPBAVNZNLKX-UHFFFAOYSA-N
PubChem ID : 440929
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 11.130843
Hydrogen bond donor count : 0 Electric dipole moment : 3.231
XLogP : 3.677 VDW volume : 312.65759
Molecular weight : 392.113412 HOMO-LUMO gap : 6.378000
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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