| BioID | bio471 |
|---|
| Name | ALTERSOLANOL C |
|---|
| ChEMBL ID | CHEMBL2011670 |
|---|
| Molecular Formula | C16H16O7 |
|---|
| Molecular Weight | 320.3 |
|---|
| Molecular Weight (Monoisotopic) | 320.0896 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Altersolanol C |
|---|
| Smiles | COc1cc(O)c2c(c1)C(=O)C1=C(C[C@@H](O)[C@@](C)(O)[C@@H]1O)C2=O |
|---|
| Inchi | InChI=1S/C16H16O7/c1-16(22)10(18)5-8-12(15(16)21)14(20)7-3-6(23-2)4-9(17)11(7)13(8)19/h3-4,10,15,17-18,21-22H,5H2,1-2H3/t10-,15-,16-/m1/s1 |
|---|
| Inchi Key | VEGRZYSJCNPLRM-UHNFBRDESA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 13.0 |
|---|
| Bioactivities | 18.0 |
|---|
| Np Likeness Score | 2.29 |
|---|
| Records Key | ['10', 'Altersolanol C', '8', 'Table S1, R94C2'] |
|---|
| Records Name | ['Altersolanol C', 'Altersolanol C', 'Altersolanol C', '(1R,2R,3R)-1,2,3,5-tetrahydroxy-7-methoxy-2-methyl-1,2,3,4-tetrahydroanthracene-9,10-dione'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
