1.0 2010-04-08 22:04:58 UTC 2019-11-26 02:56:28 UTC FDB001427 Methyl pheophorbide a Methyl pheophorbide a is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). Methyl pheophorbide a can be found in japanese persimmon, which makes methyl pheophorbide a a potential biomarker for the consumption of this food product. Methyl phaeophorbide Methyl phaeophorbide a Methylpheophorbide Phaeophorbid a, methyl ester C36H36N4O5 604.6948 604.268570282 methyl 16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10(25),11,13,15(24),16,18,20(23)-undecaene-3-carboxylate methyl 16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10(25),11,13,15(24),16,18,20(23)-undecaene-3-carboxylate 5594-30-9 CCC1=C(C)\C2=C\C3=N\C(=C/C4=N/C(/C(CCC(=O)OC)C4C)=C4/C(C(=O)OC)C(=O)C5=C(C)\C(=C\C1=N2)N=C45)\C(C)=C3C=C InChI=1S/C36H36N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32H,1,10-12H2,2-8H3/b23-13-,24-14-,25-13-,26-15-,27-14-,28-15-,33-31- GZLVCEWEVFQEQA-OLCCKFCBSA-N belongs to the class of organic compounds known as chlorins. These are large heterocyclic aromatic ring systems consisting, at the core, of three pyrroles and one pyrroline coupled through four methine linkages. Chlorins Organic compounds Organoheterocyclic compounds Tetrapyrroles and derivatives Chlorins logp 4.66 ALOGPS logs -4.38 ALOGPS solubility 2.54e-02 g/l ALOGPS logp 2.92 ChemAxon pka_strongest_acidic -0.72 ChemAxon pka_strongest_basic 7.28 ChemAxon iupac methyl 16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10(25),11,13,15(24),16,18,20(23)-undecaene-3-carboxylate ChemAxon average_mass 604.6948 ChemAxon mono_mass 604.268570282 ChemAxon smiles CCC1=C(C)\C2=C\C3=N\C(=C/C4=N/C(/C(CCC(=O)OC)C4C)=C4/C(C(=O)OC)C(=O)C5=C(C)\C(=C\C1=N2)N=C45)\C(C)=C3C=C ChemAxon formula C36H36N4O5 ChemAxon inchi InChI=1S/C36H36N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32H,1,10-12H2,2-8H3/b23-13-,24-14-,25-13-,26-15-,27-14-,28-15-,33-31- ChemAxon inchikey GZLVCEWEVFQEQA-OLCCKFCBSA-N ChemAxon polar_surface_area 119.11 ChemAxon refractivity 178.89 ChemAxon polarizability 69.55 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1218748 Specdb::MsMs 1218749 Specdb::MsMs 1218750 Specdb::MsMs 1334461 Specdb::MsMs 1334462 Specdb::MsMs 1334463 Japanese persimmon Type 1 specific Diospyros kaki 35925