1.02010-04-08 22:09:59 UTC2019-11-26 03:06:10 UTCFDB012093CarthaminRed 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 26CarthamineC43H42O22910.7804910.216773028(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-dione36338-96-2OCC1OC(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)=C1OInChI=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 derivativesOrganic compoundsPhenylpropanoids and polyketidesCinnamic acids and derivativesHydroxycinnamic acids and derivativesAromatic heteromonocyclic compounds1-hydroxy-2-unsubstituted benzenoidsAcryloyl compoundsAcyloinsC-glycosyl compoundsCyclohexenonesDialkyl ethersEnolsEnonesHydrocarbon derivativesM-benzoquinonesMonosaccharidesO-quinomethanesOrganic oxidesOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcoholsStyrenesTertiary alcoholsVinylogous acids1-hydroxy-2-unsubstituted benzenoidAcryloyl-groupAcyloinAlcoholAlpha,beta-unsaturated ketoneAromatic heteromonocyclic compoundBenzenoidC-glycosyl compoundCarbonyl groupCyclic ketoneCyclohexenoneDialkyl etherEnolEnoneEtherGlycosyl compoundHydrocarbon derivativeHydroxycinnamic acid or derivativesKetoneM-benzoquinoneMonocyclic benzene moietyMonosaccharideO-quinomethaneOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPolyolPrimary alcoholQuinomethaneQuinoneSecondary alcoholStyreneTertiary alcoholVinylogous acidlogp-0.03logs-3.77solubility1.55e-01 g/lmelting_pointMp 228-230°logp-3pka_strongest_acidic-0.82pka_strongest_basic-3.7iupac(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-dioneaverage_mass910.7804mono_mass910.216773028smilesOCC1OC(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)=C1OformulaC43H42O22inchiInChI=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+inchikeyWLYGSPLCNKYESI-CAMZRRETSA-Npolar_surface_area407.26refractivity221.34polarizability88.5rotatable_bond_count11acceptor_count22donor_count15physiological_charge-3formal_charge0Specdb::MsMs58275Specdb::MsMs58276Specdb::MsMs58277Specdb::MsMs114171Specdb::MsMs114172Specdb::MsMs114173Specdb::MsMs2332292Specdb::MsMs2332293Specdb::MsMs2332294Specdb::MsMs2630750Specdb::MsMs2630751Specdb::MsMs2630752Specdb::NmrOneD123518Specdb::NmrOneD123519Specdb::NmrOneD123520Specdb::NmrOneD123521Specdb::NmrOneD123522Specdb::NmrOneD123523Specdb::NmrOneD123524Specdb::NmrOneD123525Specdb::NmrOneD123526Specdb::NmrOneD123527Specdb::NmrOneD123528Specdb::NmrOneD123529Specdb::NmrOneD123530Specdb::NmrOneD123531Specdb::NmrOneD123532Specdb::NmrOneD123533Specdb::NmrOneD123534Specdb::NmrOneD123535Specdb::NmrOneD123536Specdb::NmrOneD123537HMDB33898#<Reference:0x000055567443f330>#<Reference:0x000055567443f060>Fats and oilsUnknowngenericHerbs and SpicesUnknowngenericSafflowerType 1specificCarthamus tinctorius4222450.0450.0450.0mg/100 gdye893