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ScientificNameLabel
10-Hydroxy phaeophorbide
PHCD compound ID : 4740
Chemical Names :
10-Hydroxy phaeophorbide
Molecular Formula : C35H36N4O6
Molecular Weight : 608.263485
More Details :
Names & Synonyms:
Smiles: COC(=O)[C@]1(O)C2=C3C(=C(C(=N3)/C=c/3\[nH]/c(=C\c4[nH]c(/C=C/5\N=C2[C@@H](CCC(=O)O)[C@@H]5C)c(C)c4C=C)/c(c3CC)C)C)C1=O
InChi : InChI=1S/C35H36N4O6/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)31(38-24)30-32-29(33(42)35(30,44)34(43)45-7)18(6)25(39-32)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,36-37,44H,1,9-11H2,2-7H3,(H,40,41)/b22-12-,23-13-,24-12-,25-14-,26-13-,27-14-,31-30+/t17-,21-,35-/m0/s1
InChi Key : InChIKey=SZPIPCFHSLVTMJ-OWGIUROWSA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 10 Ionization potential : 7.790534
Hydrogen bond donor count : 4 Electric dipole moment : 4.645
XLogP : 2.333 VDW volume : 566.895148
Molecular weight : 608.263485 HOMO-LUMO gap : 6.106000
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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