1.0 2010-04-08 22:09:59 UTC 2019-11-26 03:06:10 UTC FDB012093 Carthamin Red pigment of flower petals of Carthamus tinctorius (safflower) Carthamin is a natural red pigment derived from safflower (Carthamus tinctorius), earlier known as carthamine. It is used as a dye and a food coloring. As a food additive, it is known as Natural Red 26. Carthamin is found in safflower, fats and oils, and herbs and spices. C.I. Natural Red 26 Carthamine C43H42O22 910.7804 910.216773028 (2E)-5,6-dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-({2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}methylidene)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione (2E)-5,6-dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-({2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}methylidene)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione 36338-96-2 OCC1OC(C(O)C(O)C1O)C1(O)C(O)=C(\C=C2/C(=O)C(C(=O)\C=C\C3=CC=C(O)C=C3)=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C2=O)C(=O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O InChI=1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/b11-5+,12-6+,21-13+ WLYGSPLCNKYESI-CAMZRRETSA-N belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. Hydroxycinnamic acids and derivatives are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. Hydroxycinnamic acids and derivatives Organic compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Acyloins C-glycosyl compounds Cyclohexenones Dialkyl ethers Enols Enones Hydrocarbon derivatives M-benzoquinones Monosaccharides O-quinomethanes Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Styrenes Tertiary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid Acryloyl-group Acyloin Alcohol Alpha,beta-unsaturated ketone Aromatic heteromonocyclic compound Benzenoid C-glycosyl compound Carbonyl group Cyclic ketone Cyclohexenone Dialkyl ether Enol Enone Ether Glycosyl compound Hydrocarbon derivative Hydroxycinnamic acid or derivatives Ketone M-benzoquinone Monocyclic benzene moiety Monosaccharide O-quinomethane Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Quinomethane Quinone Secondary alcohol Styrene Tertiary alcohol Vinylogous acid logp -0.03 ALOGPS logs -3.77 ALOGPS solubility 1.55e-01 g/l ALOGPS melting_point Mp 228-230° logp -3 ChemAxon pka_strongest_acidic -0.82 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2E)-5,6-dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-({2,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}methylidene)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione ChemAxon average_mass 910.7804 ChemAxon mono_mass 910.216773028 ChemAxon smiles OCC1OC(C(O)C(O)C1O)C1(O)C(O)=C(\C=C2/C(=O)C(C(=O)\C=C\C3=CC=C(O)C=C3)=C(O)C(O)(C3OC(CO)C(O)C(O)C3O)C2=O)C(=O)C(C(=O)\C=C\C2=CC=C(O)C=C2)=C1O ChemAxon formula C43H42O22 ChemAxon inchi InChI=1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/b11-5+,12-6+,21-13+ ChemAxon inchikey WLYGSPLCNKYESI-CAMZRRETSA-N ChemAxon polar_surface_area 407.26 ChemAxon refractivity 221.34 ChemAxon polarizability 88.5 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 22 ChemAxon donor_count 15 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 58275 Specdb::MsMs 58276 Specdb::MsMs 58277 Specdb::MsMs 114171 Specdb::MsMs 114172 Specdb::MsMs 114173 Specdb::MsMs 2332292 Specdb::MsMs 2332293 Specdb::MsMs 2332294 Specdb::MsMs 2630750 Specdb::MsMs 2630751 Specdb::MsMs 2630752 Specdb::NmrOneD 123518 Specdb::NmrOneD 123519 Specdb::NmrOneD 123520 Specdb::NmrOneD 123521 Specdb::NmrOneD 123522 Specdb::NmrOneD 123523 Specdb::NmrOneD 123524 Specdb::NmrOneD 123525 Specdb::NmrOneD 123526 Specdb::NmrOneD 123527 Specdb::NmrOneD 123528 Specdb::NmrOneD 123529 Specdb::NmrOneD 123530 Specdb::NmrOneD 123531 Specdb::NmrOneD 123532 Specdb::NmrOneD 123533 Specdb::NmrOneD 123534 Specdb::NmrOneD 123535 Specdb::NmrOneD 123536 Specdb::NmrOneD 123537 HMDB33898 #<Reference:0x000055ce32251d80> #<Reference:0x000055ce32251bc8> Fats and oils Unknown generic Herbs and Spices Unknown generic Safflower Type 1 specific Carthamus tinctorius 4222 450.0 450.0 450.0 mg/100 g Dye 893