1.0 2010-04-08 22:11:20 UTC 2019-11-26 03:10:19 UTC FDB014549 alpha-Crocin The colouring principle of saffron Crocin is a natural carotenoid chemical compound that is found in the flowers crocus and gardenia. It is the diester formed from the disaccharide gentiobiose and the dicarboxylic acid crocetin. a-Crocin All-trans-crocetin di-beta-d-gentiobiosyl ester All-trans-crocetin di-beta-delta-gentiobiosyl ester Alpha-crocin Bis(b-D-gentiobiosyl) crocetin Bis(beta-D-gentiobiosyl) crocetin Bis(β-D-gentiobiosyl) crocetin Crocetin bis(gentiobiosyl) ester Crocetin di-b-D-gentiobiose ester Crocetin di-beta-D-gentiobiose ester Crocetin di-gentiobiose ester Crocetin di-β-D-gentiobiose ester Crocetin digentiobiose ester Crocetin digentiobioside Crocetin digentiobiosyl ester Crocin Crocin 1 Crocine Gardenia yellow Gardenin Saffron Saffron (jp15) trans-Crocetin bis(b-D-gentiobiosyl) ester trans-Crocetin bis(beta-D-gentiobiosyl) ester trans-Crocetin bis(β-D-gentiobiosyl) ester α-crocin C44H64O24 976.9646 976.378752976 bis[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl] (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate bis[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl] (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate 42553-65-1 C\C(\C=C\C=C(/C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)=C\C=C\C=C(/C)\C=C\C=C(\C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9-,20-10+,21-13+,22-14- SEBIKDIMAPSUBY-WOPHWFRHSA-N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic heteromonocyclic compounds Acetals Carbonyl compounds Dicarboxylic acids and derivatives Disaccharides Enoate esters Fatty acid esters Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Disaccharide Diterpenoid Enoate ester Fatty acid ester Fatty acyl Glycosyl compound Hydrocarbon derivative O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Solid logp -0.02 ALOGPS logs -3.24 ALOGPS solubility 5.67e-01 g/l ALOGPS melting_point Mp 215° (186° dec.) logp -3.2 ChemAxon pka_strongest_acidic 11.67 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac bis[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl] (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate ChemAxon average_mass 976.9646 ChemAxon mono_mass 976.378752976 ChemAxon smiles C\C(\C=C\C=C(/C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)=C\C=C\C=C(/C)\C=C\C=C(\C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C44H64O24 ChemAxon inchi InChI=1S/C44H64O24/c1-19(11-7-13-21(3)39(59)67-43-37(57)33(53)29(49)25(65-43)17-61-41-35(55)31(51)27(47)23(15-45)63-41)9-5-6-10-20(2)12-8-14-22(4)40(60)68-44-38(58)34(54)30(50)26(66-44)18-62-42-36(56)32(52)28(48)24(16-46)64-42/h5-14,23-38,41-58H,15-18H2,1-4H3/b6-5+,11-7+,12-8+,19-9-,20-10+,21-13+,22-14- ChemAxon inchikey SEBIKDIMAPSUBY-WOPHWFRHSA-N ChemAxon polar_surface_area 391.2 ChemAxon refractivity 233.49 ChemAxon polarizability 100.94 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 22 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon HMDB02398 #<Reference:0x000055ce33471308> #<Reference:0x000055ce33471150> Herbs and Spices Unknown generic Saffron Type 1 specific Crocus sativus 82528 2000.0 2000.0 2000.0 mg/100 g Choleretic 801 Colorant 826 Dye 893 Neuroprotective 1158 Any compound that can be used for the treatment of neurodegenerative disorders.