| BioID | bio94 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL509887 |
|---|
| Molecular Formula | C41H59NO7 |
|---|
| Molecular Weight | 677.92 |
|---|
| Molecular Weight (Monoisotopic) | 677.4292 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar11 |
|---|
| Target Name | Proto-oncogene c-RAF (c-RAF) |
|---|
| Synonyms | 13,19-Didesmethylspirolide C |
|---|
| Smiles | C=C1CCCC2=NCC(C)C(C)CC23CCC(C2C=C(C)C(=O)O2)=C(C)C3/C=C(\C)C(O)CC2CCC3(CCC4(OC(CCC4O)C1)O3)O2 |
|---|
| Inchi | InChI=1S/C41H59NO7/c1-24-8-7-9-36-39(22-27(4)28(5)23-42-36)14-13-32(35-20-26(3)38(45)46-35)29(6)33(39)19-25(2)34(43)21-31-12-15-40(47-31)16-17-41(49-40)37(44)11-10-30(18-24)48-41/h19-20,27-28,30-31,33-35,37,43-44H,1,7-18,21-23H2,2-6H3/b25-19+ |
|---|
| Inchi Key | RJNGYXYCHGHJLS-NCELDCMTSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | 2.98 |
|---|
| Records Key | ['2'] |
|---|
| Records Name | ['13,19-Didesmethylspirolide C'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
