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ScientificNameLabel
Capparidisine
PHCD compound ID : 5148
Chemical Names :
Capparidisine
Molecular Formula : C27H33N3O6
Molecular Weight : 495.236936
More Details :
Names & Synonyms: (8E,22E)-4-hydroxy-25,26-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione , (8E,22E)-4-hydroxy-25,26-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione , (8E,22E)-25,26-dimethoxy-4-oxidanyl-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione , (8E,22E)-4-hydroxy-25,26-dimethoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-quinone
Smiles: COc1c2/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c3cc(Oc(c1OC)cc2)c(O)cc3
InChi : InChI=1S/C27H33N3O6/c1-34-26-20-8-11-22(27(26)35-2)36-23-18-19(6-10-21(23)31)7-12-24(32)30-17-5-15-28-14-3-4-16-29-25(33)13-9-20/h6-13,18,28,31H,3-5,14-17H2,1-2H3,(H,29,33)(H,30,32)/b12-7+,13-9+
InChi Key : InChIKey=VLJFIIWEERHAMV-QYFNTBEASA-N
PubChem ID : 5386445
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 8.870370
Hydrogen bond donor count : 4 Electric dipole moment : 6.307
XLogP : 1.808 VDW volume : 476.045721
Molecular weight : 495.236936 HOMO-LUMO gap : 8.115000
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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