| BioID | bio1066 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL465443 |
|---|
| Molecular Formula | C26H30O4 |
|---|
| Molecular Weight | 406.52 |
|---|
| Molecular Weight (Monoisotopic) | 406.2144 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | (+/-)-nicolaioidesin C |
|---|
| Smiles | COc1cc(O)c(C(=O)[C@@H]2CC=C(CCC=C(C)C)C[C@H]2c2ccccc2)c(O)c1 |
|---|
| Inchi | InChI=1S/C26H30O4/c1-17(2)8-7-9-18-12-13-21(22(14-18)19-10-5-4-6-11-19)26(29)25-23(27)15-20(30-3)16-24(25)28/h4-6,8,10-12,15-16,21-22,27-28H,7,9,13-14H2,1-3H3/t21-,22+/m1/s1 |
|---|
| Inchi Key | VJYZXZFPGQYBKT-YADHBBJMSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 126.0 |
|---|
| Np Likeness Score | 1.51 |
|---|
| Records Key | ['3, [(+/-)-nicolaioidesin C]', '15', 'Nic-C'] |
|---|
| Records Name | [(1'R*,6'R*)-(2,6-Dihydroxy-4-methoxyphenyl)-(3'-isohexenyl-1'-phenylcyclohex-3'-enyl)methanone", 'Nicolaioidesin C', 'Nicolaioidesin C']" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
