| BioID | bio406 |
|---|
| Name | CHLOROCYCLINONE C |
|---|
| ChEMBL ID | CHEMBL254815 |
|---|
| Molecular Formula | C26H21ClO10 |
|---|
| Molecular Weight | 528.9 |
|---|
| Molecular Weight (Monoisotopic) | 528.0823 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | chlorocyclinone C |
|---|
| Smiles | COC(=O)c1cc2c(c(O)c1C(C)OC(=O)CO)C(=O)c1c(O)cc3cc(C)c(Cl)c(OC)c3c1C2=O |
|---|
| Inchi | InChI=1S/C26H21ClO10/c1-9-5-11-6-14(29)19-20(17(11)25(35-3)21(9)27)22(31)12-7-13(26(34)36-4)16(10(2)37-15(30)8-28)23(32)18(12)24(19)33/h5-7,10,28-29,32H,8H2,1-4H3 |
|---|
| Inchi Key | LMNHPKWXMIGBEL-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | 1.21 |
|---|
| Records Key | ['3, chlorocyclinone C'] |
|---|
| Records Name | ['methyl 2-chloro-6,8-dihydroxy-9-{1-[(hydroxyacetyl)oxy]ethyl}-1-methoxy-3-methyl-7,12-dioxo-7,12-dihydrotetraphene-10-carboxylate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
