1.0 2010-04-08 22:14:21 UTC 2017-03-11 22:59:23 UTC FDB019426 Orcein Once used as a food colouring but now banned throughout the EC Cudbear is a dye extracted from orchil lichens that produces colours in the purple range. It can be used to dye wool and silk, without the use of mordant.; Cudbear was the first dye to be invented in modern times, and one of the few dyes to be credited to a named individual.; Orcinol is extracted from archil lichen, Rocella tinctoria. It is then converted to orcein by ammonia and air. Orcein is a reddish-brown dye, orchil is a purple-blue dye. Orcein is also used as a stain in microscopy to visualize elastic fibers,Hepatitis B surface antigens and copper associated proteins. It is a mixture of phenoxazone derivates - hydroxyorceins, aminoorceins, and aminoorceinimines. C.I. Natural Red 28 Pacein C28H24N2O7 500.4994 500.158351132 4,12-bis[(2,4-dihydroxy-6-methylphenyl)amino]-3,13-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1,3,6,9,12-pentaene-5,11-dione 4,12-bis[(2,4-dihydroxy-6-methylphenyl)amino]-3,13-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1,3,6,9,12-pentaene-5,11-dione 1400-62-0 CC1=CC(O)=CC(O)=C1NC1=C(C)C2=C3C(OC2=CC1=O)=CC(=O)C(NC1=C(O)C=C(O)C=C1C)=C3C InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29-34H,1-4H3 VPEASJIRGSVXBF-UHFFFAOYSA-N belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Benzofurans Organic compounds Organoheterocyclic compounds Benzofurans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aminotoluenes Aniline and substituted anilines Cyclic ketones Enamines Furans Heteroaromatic compounds Hydrocarbon derivatives Meta cresols Organic oxides Organopnictogen compounds Oxacyclic compounds Resorcinols Secondary alkylarylamines o-Aminophenols p-Aminophenols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Amine Aminophenol Aminotoluene Aniline or substituted anilines Aromatic heteropolycyclic compound Benzenoid Benzofuran Carbonyl group Cyclic ketone Enamine Furan Heteroaromatic compound Hydrocarbon derivative Ketone M-cresol Monocyclic benzene moiety O-aminophenol Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle P-aminophenol Phenol Resorcinol Secondary aliphatic/aromatic amine Secondary amine Toluene a phenol logp 4.14 ALOGPS logs -4.11 ALOGPS solubility 3.91e-02 g/l ALOGPS logp 3.17 ChemAxon pka_strongest_acidic 9.1 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 4,12-bis[(2,4-dihydroxy-6-methylphenyl)amino]-3,13-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1,3,6,9,12-pentaene-5,11-dione ChemAxon average_mass 500.4994 ChemAxon mono_mass 500.158351132 ChemAxon smiles CC1=CC(O)=CC(O)=C1NC1=C(C)C2=C3C(OC2=CC1=O)=CC(=O)C(NC1=C(O)C=C(O)C=C1C)=C3C ChemAxon formula C28H24N2O7 ChemAxon inchi InChI=1S/C28H24N2O7/c1-11-5-15(31)7-17(33)25(11)29-27-13(3)23-21(9-19(27)35)37-22-10-20(36)28(14(4)24(22)23)30-26-12(2)6-16(32)8-18(26)34/h5-10,29-34H,1-4H3 ChemAxon inchikey VPEASJIRGSVXBF-UHFFFAOYSA-N ChemAxon polar_surface_area 148.35 ChemAxon refractivity 146.3 ChemAxon polarizability 53.16 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21456 Specdb::CMs 46568 Specdb::MsMs 74034 Specdb::MsMs 74035 Specdb::MsMs 74036 Specdb::MsMs 133317 Specdb::MsMs 133318 Specdb::MsMs 133319 Specdb::MsMs 2445931 Specdb::MsMs 2445932 Specdb::MsMs 2445933 Specdb::MsMs 2515956 Specdb::MsMs 2515957 Specdb::MsMs 2515958 HMDB39777 #<Reference:0x000055ce332c6210>