1.0 2010-04-08 22:12:31 UTC 2019-11-26 03:13:30 UTC FDB016592 Chlorophyll Colourant for cosmetics and foodstuffs, especies meat casings, fats and shortening Chlorophyll is a chlorin pigment, which is structurally similar to and produced through the same metabolic pathway as other porphyrin pigments such as heme. Chlorophyll is found in many foods, some of which are pepper (c. annuum), tea, green bell pepper, and garden tomato (variety). Biophyll C.I. 75810 C.I. Natural green 3, 9CI E140 C55H73MgN4O5 894.516 893.54258959 magnesium(2+) ion (3R,21S,22S)-16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10,12,14,16,18,20(23)-decaen-25-ide magnesium(2+) ion (3R,21S,22S)-16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10,12,14,16,18,20(23)-decaen-25-ide 8049-84-1 [Mg++].[H]\C(COC(=O)CC[C@]1([H])\C2=C3/C4=N/C(=C\C5=C(CC)C(C)=C([N-]5)\C=C5/N\C(=C/C(=N2)[C@@]1([H])C)C(C)=C5C=C)/C(C)=C4C(=O)[C@]3([H])C(=O)OC)=C(\C)CCCC([H])(C)CCCC([H])(C)CCCC(C)C InChI=1S/C55H74N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H2,56,57,58,59,61);/q;+2/p-1/b34-26+;/t32?,33?,37-,41-,51+;/m0./s1 SYHZSPMCAROBPW-WJQLOWBJSA-M 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 Aromatic heteropolycyclic compounds 1,3-dicarbonyl compounds Aryl alkyl ketones Azacyclic compounds Dicarboxylic acids and derivatives Diterpenoids Fatty acid esters Heteroaromatic compounds Hydrocarbon derivatives Metallotetrapyrroles Methyl esters Organic cations Organic oxides Organic salts Organonitrogen compounds Organopnictogen compounds Phorbines Substituted pyrroles 1,3-dicarbonyl compound Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chlorin Dicarboxylic acid or derivatives Diterpenoid Fatty acid ester Fatty acyl Heteroaromatic compound Hydrocarbon derivative Ketone Metallotetrapyrrole skeleton Methyl ester Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Phorbine skeleton Pyrrole Substituted pyrrole logp 8.49 ALOGPS logs -7.01 ALOGPS solubility 9.09e-05 g/l ALOGPS logp 11.3 ChemAxon pka_strongest_acidic -1.2 ChemAxon pka_strongest_basic 6.92 ChemAxon iupac magnesium(2+) ion (3R,21S,22S)-16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10,12,14,16,18,20(23)-decaen-25-ide ChemAxon average_mass 894.516 ChemAxon mono_mass 893.54258959 ChemAxon smiles [Mg++].[H]\C(COC(=O)CC[C@]1([H])\C2=C3/C4=N/C(=C\C5=C(CC)C(C)=C([N-]5)\C=C5/N\C(=C/C(=N2)[C@@]1([H])C)C(C)=C5C=C)/C(C)=C4C(=O)[C@]3([H])C(=O)OC)=C(\C)CCCC([H])(C)CCCC([H])(C)CCCC(C)C ChemAxon formula C55H73MgN4O5 ChemAxon inchi InChI=1S/C55H74N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H2,56,57,58,59,61);/q;+2/p-1/b34-26+;/t32?,33?,37-,41-,51+;/m0./s1 ChemAxon inchikey SYHZSPMCAROBPW-WJQLOWBJSA-M ChemAxon polar_surface_area 124.13 ChemAxon refractivity 260.82 ChemAxon polarizability 107.96 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 1283524 Specdb::MsMs 1283525 Specdb::MsMs 1283526 28966 Apple Type 1 specific Malus pumila 283210 0.05 0.05 0.05 mg/100 g Black tea Type 1 Broccoli Type 1 specific Brassica oleracea var. italica 36774 Carrot Type 1 specific Daucus carota ssp. sativus 79200 Date Type 1 specific Phoenix dactylifera 42345 20.5 20.5 20.5 mg/100 g French plantain Type 1 specific Musa X paradisiaca 89151 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 1.65 1.65 1.65 mg/100 g Green bell pepper Type 1 specific Capsicum annuum 4072 Green tea Type 1 Herbal tea Type 1 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Purslane Type 1 specific Portulaca oleracea 46147 Red bell pepper Type 1 specific Capsicum annuum 4072 Red tea Type 1 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 Soy bean Type 1 specific Glycine max 3847 Spinach Type 1 specific Spinacia oleracea 3562 Tea Type 1 specific Camellia sinensis 4442 Wild carrot Type 1 specific Daucus carota 4039 Yellow bell pepper Type 1 specific Capsicum annuum 4072 Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti decubitic 220 Anti halitosic 314 Anti otitic 498 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti ulcer 676 One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract. Anti-cancer 159 A substance that inhibits or prevents the proliferation of neoplasms. Anti-menorrhagic 430 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-mutagenic 451 Anti-oxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. Anti-rhinitic 587 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-sinusitic 617 Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. Colorant 826 Deodorant 870 Dye 893 Oxidant 1183 A substance that removes electrons from another reactant in a redox reaction. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Vulnerary 1430 A drug used in treating and healing of wounds.