| BioID | bio490 |
|---|
| Name | ISOVOUACAPENOL C |
|---|
| ChEMBL ID | CHEMBL522805 |
|---|
| Molecular Formula | C27H34O5 |
|---|
| Molecular Weight | 438.56 |
|---|
| Molecular Weight (Monoisotopic) | 438.2406 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | Isovouacapenol C |
|---|
| Smiles | C[C@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@@H](OC(=O)c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C |
|---|
| Inchi | InChI=1S/C27H34O5/c1-16-18-11-14-31-20(18)15-19-21(16)22(28)23(32-24(29)17-9-6-5-7-10-17)27(30)25(2,3)12-8-13-26(19,27)4/h5-7,9-11,14,16,19,21-23,28,30H,8,12-13,15H2,1-4H3/t16-,19-,21-,22+,23+,26+,27+/m0/s1 |
|---|
| Inchi Key | YMUSGWGTHSRGHT-WVTZLOSNSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 7.0 |
|---|
| Bioactivities | 13.0 |
|---|
| Np Likeness Score | 2.4 |
|---|
| Records Key | ['3, Isovouacapenol C'] |
|---|
| Records Name | ['(4a-alpha,5beta,6a-beta,7alpha,11a-alpha,11b-beta)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,4,7,11b-tetramethylphenanthro[3,2-b]furan-4a,5,7-triol-5-benzoate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
