| Phytochemical Name : CID 5748352 |
| PCNDIDC0155 |
| Pubchem CID : 5748352 |
| Molecular formula: C55H72MgN4O5 |
| Canonical SMILES : CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2] |
Synonymes : CHLOROPHYLL|1406-65-1|Deodophyll|Magnesium;(3R,21S,22S)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-olate|Magnesium;16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-22-[3-oxo-3-(3,7,11,15-tetramethylhexadec-2-enoxy)propyl]-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-4-olate|CID 5748352|Q43177|Q133878 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -49.770 |
| Log Po/w (XLOGP3) : 11.430 |
| Log Po/w (WLOGP) : 9.870 |
| Log Po/w (MLOGP) : 4.860 |
| Log Po/w (SILICOS-IT) : 15.270 |
| Consensus Log Po/w : -1.670 |