Bioactive Compound Details
| BioID | bio200077 |
|---|---|
| Name | AMARANTH |
| ChEMBL ID | CHEMBL2104005 |
| Molecular Formula | C20H11N2Na3O10S3 |
| Molecular Weight | 604.48 |
| Molecular Weight (Monoisotopic) | 537.9811 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | ACID RED 27|AMARANTH|AMARANTH (DYE)|AMARANTH (E 123)|AMARANTH DYE|B1717|C.I. 16185|C.I. ACID RED 27|C.I. FOOD RED 9|CI 16185|CI-FOOD RED 9|E-123|FD&C RED NO. 2|INS NO.123|INS-123|NAPHTOL ROT S.|NSC-215207|NSC-4300|RED NO. 2 |
| Smiles | O=S(=O)([O-])c1ccc2c(/N=N/c3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+] |
| Inchi | InChI=1S/C20H14N2O10S3.3Na/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-21+;;; |
| Inchi Key | WLDHEUZGFKACJH-ZRUFZDNISA-K |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.52 |
| Records Key | ['AMARANTH'] |
| Records Name | ['AMARANTH'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
