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Pyrophaeophorbide a
PHCD compound ID : 4742
Chemical Names :
Pyrophaeophorbide a
Molecular Formula : C33H36N4O3
Molecular Weight : 536.278741
More Details :
Names & Synonyms:
Smiles: C=Cc1c2[nH]c(c1C)/C=C/1\N/C(=C\3/CC(=O)C4=C(/C(=C/c5[nH]c(C2)c(C)c5CC)/N=C34)C)/[C@H]([C@@H]1C)CCC(=O)O
InChi : InChI=1S/C33H36N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12,14,17,21,34-36H,1,8-11,13H2,2-6H3,(H,39,40)/b25-12-,26-14-,32-22-/t17-,21-/m0/s1
InChi Key : InChIKey=YNSURQNKLWTXFZ-WNUHZKRZSA-N
PubChem ID : 86657459
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 7.890990
Hydrogen bond donor count : 4 Electric dipole moment : 2.866
XLogP : 3.345 VDW volume : 522.105416
Molecular weight : 536.278741 HOMO-LUMO gap : 6.553000
Herb list :
Refrences & Litretures:
  
750.      Journal:'Phytochemistry'      Year:'2009'      Volume:'70'      Page:'924'      DOI:'10.1016/j.phytochem.2009.04.019'      Title:'A comprehensive metabolite profiling of Isatis tinctoria leaf extracts'
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