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ScientificNameLabel
Capparisinine
PHCD compound ID : 5147
Chemical Names :
Capparisinine
Molecular Formula : C27H33N3O6
Molecular Weight : 495.236936
More Details :
Names & Synonyms: (8Z,22E)-4-hydroxy-25,28-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(27),3,5,7(29),8,22,24(28),25-octaene-10,21-dione , (8Z,22E)-4-hydroxy-25,28-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(27),3,5,7(29),8,22,24(28),25-octaene-10,21-dione , (8Z,22E)-25,28-dimethoxy-4-oxidanyl-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(27),3,5,7(29),8,22,24(28),25-octaene-10,21-dione , (8Z,22E)-4-hydroxy-25,28-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(27),3,5,7(29),8,22,24(28),25-octaene-10,21-quinone
Smiles: COc1cc2Oc3cc(/C=C/C(=O)NCCCNCCCCNC(=O)/C=C/c1c(c2)OC)ccc3O
InChi : InChI=1S/C27H33N3O6/c1-34-23-17-20-18-24(35-2)21(23)8-11-27(33)29-14-4-3-12-28-13-5-15-30-26(32)10-7-19-6-9-22(31)25(16-19)36-20/h6-11,16-18,28,31H,3-5,12-15H2,1-2H3,(H,29,33)(H,30,32)/b10-7+,11-8+
InChi Key : InChIKey=NUYJJSYIZAZKPD-AMMQDNIMSA-N
PubChem ID : 5373784
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 8.980374
Hydrogen bond donor count : 4 Electric dipole moment : 1.569
XLogP : 1.808 VDW volume : 476.045721
Molecular weight : 495.236936 HOMO-LUMO gap : 8.198000
Herb list :
Refrences & Litretures:
  
818.      Journal:'International Journal of Phytomedicine'      Year:'2010'      Volume:'2'      Page:'10'      DOI:'10.5138/ijpm.2010.0975.0185.02002'      Title:'Phytochemical and pharmacological Potential of Kair (Capparis Decidua)'
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