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ScientificNameLabel
15-N-acetyl capparisine
PHCD compound ID : 5149
Chemical Names :
15-N-acetyl capparisine
Molecular Formula : C28H33N3O6
Molecular Weight : 507.236936
More Details :
Names & Synonyms:
Smiles: COc1cc2ccc1/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/c1cc(O2)c(O)cc1)C(=O)C
InChi : InChI=1S/C28H33N3O6/c1-20(32)31-16-4-3-14-29-28(35)13-9-22-8-10-23(19-25(22)36-2)37-26-18-21(6-11-24(26)33)7-12-27(34)30-15-5-17-31/h6-13,18-19,33H,3-5,14-17H2,1-2H3,(H,29,35)(H,30,34)/b12-7+,13-9+
InChi Key : InChIKey=NYFMQGMHLANUIF-QYFNTBEASA-N
PubChem ID :
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 8.695340
Hydrogen bond donor count : 3 Electric dipole moment : 7.832
XLogP : 1.596 VDW volume : 490.705247
Molecular weight : 507.236936 HOMO-LUMO gap : 7.815000
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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