Erythrosine
PubChem CID: 3259
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| Compound Synonyms | Erythrosin B, 15905-32-5, Tetraiodofluorescein, Solvent Red 140, Erythrosine acid, Iodeosin, ERYTHROSINE, 2',4',5',7'-Tetraiodofluorescein, Erythrosine, phenolic, 2,4,5,7-Erythrosin, 3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one, 1A878FZQ9B, E127, ERYTHROSINE J, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, FD and C Red No. 3, Erythrosine B (free acid), NSC-328781, C.I. Solvent Red 140, DTXSID7044843, NSC-4905, NSC328781, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, NCGC00166249-02, CI 45430:2, C.I. 45430:2, Food Red No. 3, 3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one, C.I. Food Red 14, DTXCID1024207, FD & C red no. 3, 3',6'-DIHYDROXY-2',4',5',7'-TETRAIODO-3H-SPIRO(2-BENZOFURAN-1,9'-XANTHEN)-3-ONE, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one, 3',6'-Dihydroxy-2',4',5',7'-tetraiodo-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one, SMR000857151, CAS-15905-32-5, C20H8I4O5, EINECS 240-046-0, NSC 328781, BRN 0062817, UNII-1A878FZQ9B, Fluoresceins, Iodoeosine, Felumin, Ceplac, Trace, Dianthine B, Iodeosine B, Pyrosine B, Tetrajodfluorescein, 3',6'-dihydroxy-2',4',5',7'-tetraiodospiro(2-benzofuran-3,9'-xanthene)-1-one, Spiro[isobenzofuran-1(3H),9'-[9h]xanthen]-3-one,3',6'-dihydroxy-2',4',5',7'-tetraiodo-, E127 Erythrosine, Tetraiodofluoresceuin, 2,5,7-Erythrosin, tetra-iodo-fluorescein, CI Food Red 14, FDC Red No. 3, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, disodium salt, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, disodium salt, Cogilor orange 211.10, Cogilor orange 312.42, Fluorescein, 2',4',5',7'-tetraiodo- (VAN), 2,5,7-Tetraiodofluorescein, SCHEMBL25042, 4-19-00-02923 (Beilstein Handbook Reference), MLS001332405, MLS001332406, Red 1427, Solvent red 140, Iodoeosine, CHEMBL1332616, 2',5',7'-Tetraiodofluorescein, 2, 4,5,7-Tetraiodofluorescein, Fluorescein,4',5',7'-tetraiodo-, Tox21_113464, Tox21_301634, BDBM50542241, Erythrosin B, Dye content >=95 %, HB0759, STL453505, AKOS015903873, Tox21_113464_1, FE47102, Solvent Red 140, Tetraiodofluorescein, SMP2_000049, NCGC00166249-01, NCGC00166249-03, NCGC00256240-01, AS-74205, HY-107864, CS-0030748, NS00005678, T0124, D92303, Q420101, Solvent Red 140, Tetraiodofluoresceuin, Erythrosine, Spiro[isobenzofuran-1(3H), 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, 1590-32-5, 3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'(9H)-xanthen]-3-one, 9CI |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Description | Dye used in food and feed additives. Prohibited in U.S.A. and Norway [DFC] Erythrosine, also known as Red No. 3, is a cherry-pink synthetic fluorone food coloring. It is the disodium salt of 2,4,5,7-tetraiodofluorescein. Erythrosine is commonly used in sweets such as some candies and popsicles, and even more widely used in cake-decorating gels. While commonly used in many countries of the world, erythrosine is less commonly used in the United States because Allura Red AC (Red #40) is generally used instead. However, Allura Red AC is banned in many European countries solely because it is an azo dye, despite scientific consensus of Red 40 having fewer known health risks. [Wikipedia]. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 645.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O75604, Q03164, P10828, P46063, Q9NUW8, Q962Y6, Q9F4F7, O97447, Q9Y468, P00811, P54132, Q9HBX9, Q92830, O15648, O00167, P03070, Q96QE3, Q96KQ7, Q9UIF8, P11473, Q9UBT6, P08659, Q4R6F8, O94925, Q57TT1, P27695, P29965, A0A024AXB9, P10275, P05412 |
| Iupac Name | 3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one |
| Prediction Hob | 1.0 |
| Class | Benzopyrans |
| Target Id | NPT45, NPT46, NPT47, NPT50, NPT864, NPT58, NPT2944 |
| Xlogp | 6.0 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Molecular Formula | C20H8I4O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OALHHIHQOFIMEF-UHFFFAOYSA-N |
| Fcsp3 | 0.05 |
| Logs | -3.117 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.423 |
| Synonyms | 2, 4,5,7-Tetraiodofluorescein, 2,4,5,7-Erythrosin, 2,4,5,7-Tetraiodofluorescein, 2',4',5',7'-Tetraiodofluorescein, 3',6'-Dihydroxy-2',4',5',7'-tetraiodospiro[isobenzofuran-1(3H),9'(9H)-xanthen]-3-one, 9CI, Aizen erythrosine, C.I. 45430, C.I. Acid red 51, C.I. Food red 14, Ceplac, Cogilor orange 211.10, Cogilor orange 312.42, Dianthine B, E127, Erythrosine acid, Erythrosine, phenolic, FD and C Red No. 3, Fd&c red no. 3, Felumin, Food red no. 3, Iodeosin, Iodeosine B, Iodofluorescein, Pyrosine B, Red 1427, Tetraiodofluorescein, Trace |
| Substituent Name | Xanthene, Diaryl ether, Phthalide, Benzofuranone, 2-iodophenol, 2-halophenol, Iodobenzene, Halobenzene, Benzenoid, Aryl iodide, Aryl halide, Lactone, Carboxylic acid ester, Oxacycle, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Organoiodide, Organohalogen compound, Carbonyl group, Aromatic heteropolycyclic compound |
| Compound Name | Erythrosine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 835.655 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 835.655 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 835.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.274459344827585 |
| Inchi | InChI=1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H |
| Smiles | C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all