1.0 2010-04-08 22:05:26 UTC 2018-05-28 22:13:45 UTC FDB002568 Carminic acid Isolated from cochineal, obtained from the dried female bodies of the insect Dactylopius coccus. Dyestuff, red food colouring. [CCD]. 7-Glucopyranosyl-3,4,5,8-tetrahydroxy-1-methylanthraquinone-2-carboxylic acid C. I. 75470 Carmine red Carminic acid CI Natural Red 4 Coccus cacti extract Cochineal Cochineal extract E120 FEMA 2330 Natural red 4 San-ei gen san red 1 Sanred 1 Sun red 1 Sun Red No. 1 C22H20O13 492.3864 492.090390726 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracene-2-carboxylic acid carmine 1260-17-9 CC1=C2C(=O)C3=C(C(O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34) DGQLVPJVXFOQEV-UHFFFAOYSA-N belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system. Anthracenecarboxylic acids Organic compounds Benzenoids Anthracenes Anthracenecarboxylic acids and derivatives Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Aryl ketones C-glycosyl compounds Carboxylic acids Dialkyl ethers Hexoses Hydrocarbon derivatives Hydroxyanthraquinones Monocarboxylic acids and derivatives Naphthalenecarboxylic acids Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Salicylic acid and derivatives Secondary alcohols Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 2-naphthalenecarboxylic acid 2-naphthalenecarboxylic acid or derivatives 9,10-anthraquinone Alcohol Anthracene carboxylic acid Anthraquinone Aromatic heteropolycyclic compound Aryl ketone C-glycosyl compound Carboxylic acid Carboxylic acid derivative Dialkyl ether Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxyanthraquinone Hydroxybenzoic acid Ketone Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Salicylic acid or derivatives Secondary alcohol Vinylogous acid logp 0.20 ALOGPS logs -1.97 ALOGPS solubility 5.31e+00 g/l ALOGPS melting_point 136 oC logp 1.07 ChemAxon pka_strongest_acidic 2.22 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracene-2-carboxylic acid ChemAxon average_mass 492.3864 ChemAxon mono_mass 492.090390726 ChemAxon smiles CC1=C2C(=O)C3=C(C(O)=C(O)C(C4OC(CO)C(O)C(O)C4O)=C3O)C(=O)C2=CC(O)=C1C(O)=O ChemAxon formula C22H20O13 ChemAxon inchi InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34) ChemAxon inchikey DGQLVPJVXFOQEV-UHFFFAOYSA-N ChemAxon polar_surface_area 242.51 ChemAxon refractivity 114.49 ChemAxon polarizability 46.54 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83694 Specdb::MsMs 83695 Specdb::MsMs 83696 Specdb::MsMs 145350 Specdb::MsMs 145351 Specdb::MsMs 145352 Specdb::MsMs 2818893 Specdb::MsMs 2818894 Specdb::MsMs 2818895 Specdb::MsMs 2890051 Specdb::MsMs 2890052 Specdb::MsMs 2890053 Specdb::NmrOneD 162049 Specdb::NmrOneD 162050 Specdb::NmrOneD 162051 Specdb::NmrOneD 162052 Specdb::NmrOneD 162053 Specdb::NmrOneD 162054 Specdb::NmrOneD 162055 Specdb::NmrOneD 162056 Specdb::NmrOneD 162057 Specdb::NmrOneD 162058 Specdb::NmrOneD 162059 Specdb::NmrOneD 162060 Specdb::NmrOneD 162061 Specdb::NmrOneD 162062 Specdb::NmrOneD 162063 Specdb::NmrOneD 162064 Specdb::NmrOneD 162065 Specdb::NmrOneD 162066 Specdb::NmrOneD 162067 Specdb::NmrOneD 162068 Specdb::CMs 26345 Specdb::CMs 42065 Specdb::CMs 118753 Specdb::CMs 124731 Specdb::CMs 150167 Specdb::CMs 164460 Specdb::CMs 164463 Specdb::CMs 280480 Specdb::CMs 858876 Specdb::CMs 858877 Specdb::CMs 858878 Specdb::CMs 858879 Specdb::CMs 858880 Specdb::CMs 858881 Specdb::CMs 858882 Specdb::CMs 858883 Specdb::CMs 858884 Specdb::CMs 858885 Specdb::CMs 858886 Specdb::CMs 858887 Specdb::CMs 858888 Specdb::CMs 858889 Specdb::CMs 858890 Specdb::CMs 858891 Specdb::CMs 858892 HMDB30658 #<Reference:0x000055ce31d8af90>