1.0 2010-04-08 22:12:07 UTC 2019-11-26 03:12:24 UTC FDB015893 Capsorubin Constituent of paprika (Capsicum annuum). Potential nutriceutical Capsorubin is one of the main colouring constituant of paprika oleoresin (paprika extract). Capsorubin is found in many foods, some of which are orange bell pepper, yellow bell pepper, green bell pepper, and italian sweet red pepper. (3S,5R,3'S,5'r)-3,3'-dihydroxy-kappa,kappa-carotene-6,6'-dione 3,3'-Dihydroxy-k,k-carotene-6,6'-dione all-trans-Capsorubin E160 (Capsorubin) C40H56O4 600.884 600.417860283 (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-bis[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione capsorubin 470-38-2 C\C(\C=C\C=C(/C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1 GVOIABOMXKDDGU-YUURSNASSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homomonocyclic compounds Acryloyl compounds Cyclic alcohols and derivatives Cyclopentanols Enones Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Alcohol Aliphatic homomonocyclic compound Alpha,beta-unsaturated ketone Carbonyl group Cyclic alcohol Cyclopentanol Enone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid C40 isoprenoids (tetraterpenes) C40 isoprenoids (tetraterpenes) Carotenoids carotenone Liquid logp 7.43 ALOGPS logs -5.92 ALOGPS solubility 7.28e-04 g/l ALOGPS melting_point Mp 201° logp 8.66 ChemAxon pka_strongest_acidic 14.91 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1,20-bis[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione ChemAxon average_mass 600.884 ChemAxon mono_mass 600.417860283 ChemAxon smiles C\C(\C=C\C=C(/C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C ChemAxon formula C40H56O4 ChemAxon inchi InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1 ChemAxon inchikey GVOIABOMXKDDGU-YUURSNASSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 194.98 ChemAxon polarizability 74.42 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25620 Specdb::CMs 45131 Specdb::CMs 467167 Specdb::CMs 467168 Specdb::CMs 467169 Specdb::CMs 792117 Specdb::MsMs 103155 Specdb::MsMs 103156 Specdb::MsMs 103157 Specdb::MsMs 169116 Specdb::MsMs 169117 Specdb::MsMs 169118 Specdb::MsMs 2836848 Specdb::MsMs 2836849 Specdb::MsMs 2836850 Specdb::MsMs 2872688 Specdb::MsMs 2872689 Specdb::MsMs 2872690 HMDB36924 3378 #<Reference:0x000055ce328830c8> 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 Pepper Type 1 specific Capsicum annuum 4072 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072 Colorant 826