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ScientificNameLabel
Polyodonine
PHCD compound ID : 5480
Chemical Names :
Polyodonine
Molecular Formula : C19H24O5
Molecular Weight : 332.162374
More Details :
Names & Synonyms:
Smiles: O=C1C[C@@]2(O[C@]31C=COC3)CC[C@@H]1[C@@H]3[C@]2(C)CCC[C@]3(C)C(=O)O1
InChi : InChI=1S/C19H24O5/c1-16-5-3-6-17(2)14(16)12(23-15(16)21)4-7-19(17)10-13(20)18(24-19)8-9-22-11-18/h8-9,12,14H,3-7,10-11H2,1-2H3/t12-,14+,16+,17+,18-,19+/m1/s1
InChi Key : InChIKey=ZPDNPQXNHFWBAL-DPYBKRLMSA-N
PubChem ID :
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.546274
Hydrogen bond donor count : 0 Electric dipole moment : 2.350
XLogP : 1.862 VDW volume : 311.43963
Molecular weight : 332.162374 HOMO-LUMO gap : 9.785000
Herb list :
Refrences & Litretures:
  
916.      Journal:'Natural Product Communications'      Year:'2014'      Volume:'9'      Page:'903'      DOI:'10.1177/1934578X1400900705'      Title:'Chemical Constituents of Marrubium vulgare as Potential Inhibitors of Nitric Oxide and Respiratory Burst'
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