| BioID | bio1134 |
|---|
| Name | NAGILACTONE C |
|---|
| ChEMBL ID | CHEMBL487996 |
|---|
| Molecular Formula | C19H22O7 |
|---|
| Molecular Weight | 362.38 |
|---|
| Molecular Weight (Monoisotopic) | 362.1366 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Nagilactone C |
|---|
| Smiles | CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)[C@@H](O)[C@H]4O[C@H]4[C@@]2(C)[C@@H]13 |
|---|
| Inchi | InChI=1S/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3/t10-,12-,13-,14-,15+,16-,18-,19-/m1/s1 |
|---|
| Inchi Key | DGNOPGIIPQKNHD-RSKPZANQSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 21.0 |
|---|
| Bioactivities | 26.0 |
|---|
| Np Likeness Score | 2.87 |
|---|
| Records Key | ['18', '1', 'nagilactone C', '3', '14', '12', '7j'] |
|---|
| Records Name | ['nagilactone C', 'nagilactone C', 'nagilactone C', 'Nagilactone C', 'Nagilactone C', 'Nagilactone C', 'Nagilactone C'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
