1.0 2010-04-08 22:11:09 UTC 2025-11-19 00:44:33 UTC FDB014220 Capsicum annuum Fluorescent chlorophyll catabolite Chlorophyll catabolite isolated from Capsicum annuum (ripe sweet pepper). Capsicum annuum Fluorescent chlorophyll catabolite is found in many foods, some of which are italian sweet red pepper, herbs and spices, orange bell pepper, and red bell pepper. Ca-FCC-2 C35H40N4O7 628.7147 628.289699654 3-{5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-2-[(6Z)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrol-6-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid 3-{5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-2-[(6Z)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-1H,5H-cyclopenta[b]pyrrol-6-ylidene]-4-methyl-3,4-dihydropyrrol-3-yl}propanoic acid CCC1=C(CC2=C(C)C3=C(N2)\C(C(C(=O)OC)C3=O)=C2/N=C(CC3NC(=O)C(C=C)=C3C)C(C)C2CCC(O)=O)NC(C=O)=C1C InChI=1S/C35H40N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,14,17,21,23,30,36,38H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/b31-29- ULSSSZOYSMVFIJ-YCNYHXFESA-N belongs to the class of organic compounds known as tetrapyrroles and derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. Tetrapyrroles and derivatives Organic compounds Organoheterocyclic compounds Tetrapyrroles and derivatives Aromatic heteropolycyclic compounds 1,3-dicarbonyl compounds Aryl alkyl ketones Aryl-aldehydes Azacyclic compounds Carboxylic acids Dicarboxylic acids and derivatives Heteroaromatic compounds Hydrocarbon derivatives Ketimines Lactams Methyl esters Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrrolines Secondary carboxylic acid amides Substituted pyrroles Vinylogous amides 1,3-dicarbonyl compound Aldehyde Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Aryl-aldehyde Azacycle Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Imine Ketimine Ketone Lactam Methyl ester Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrrole Pyrroline Secondary carboxylic acid amide Substituted pyrrole Tetrapyrrole skeleton Vinylogous amide logp 3.45 ALOGPS logs -4.85 ALOGPS solubility 8.92e-03 g/l ALOGPS logp 1.76 ChemAxon pka_strongest_acidic 3.5 ChemAxon pka_strongest_basic 7.07 ChemAxon iupac 3-{5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-2-[(6Z)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrol-6-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid ChemAxon average_mass 628.7147 ChemAxon mono_mass 628.289699654 ChemAxon smiles CCC1=C(CC2=C(C)C3=C(N2)\C(C(C(=O)OC)C3=O)=C2/N=C(CC3NC(=O)C(C=C)=C3C)C(C)C2CCC(O)=O)NC(C=O)=C1C ChemAxon formula C35H40N4O7 ChemAxon inchi InChI=1S/C35H40N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,14,17,21,23,30,36,38H,2,8,10-13H2,1,3-7H3,(H,39,44)(H,41,42)/b31-29- ChemAxon inchikey ULSSSZOYSMVFIJ-YCNYHXFESA-N ChemAxon polar_surface_area 170.78 ChemAxon refractivity 175.49 ChemAxon polarizability 68.72 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 91392 Specdb::MsMs 91393 Specdb::MsMs 91394 Specdb::MsMs 154770 Specdb::MsMs 154771 Specdb::MsMs 154772 Specdb::MsMs 2330001 Specdb::MsMs 2330002 Specdb::MsMs 2330003 Specdb::MsMs 2635141 Specdb::MsMs 2635142 Specdb::MsMs 2635143 Specdb::CMs 10840 Specdb::CMs 581744 Specdb::CMs 581745 Specdb::CMs 581746 Specdb::CMs 581747 Specdb::CMs 581748 Specdb::CMs 581749 Specdb::CMs 581750 Specdb::CMs 581751 Specdb::CMs 793153 HMDB0035528 Green bell pepper Type 1 specific Capsicum annuum 4072 Herbs and Spices Unknown generic Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072