Bioactive Compound Details
| BioID | bio91 |
|---|---|
| Name | TAXUSPINE C |
| ChEMBL ID | CHEMBL453986 |
| Molecular Formula | C35H42O9 |
| Molecular Weight | 606.71 |
| Molecular Weight (Monoisotopic) | 606.2829 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | taxuspine C |
| Smiles | C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@]132)C4(C)C |
| Inchi | InChI=1S/C35H42O9/c1-19-26(39)18-25-29(41-21(3)36)35-20(2)27(44-28(40)15-14-24-12-10-9-11-13-24)16-17-33(35,8)30(42-22(4)37)31(43-23(5)38)34(19,35)32(25,6)7/h9-15,19,25,27,29-31H,2,16-18H2,1,3-8H3/b15-14+/t19-,25+,27+,29-,30+,31+,33+,34-,35-/m1/s1 |
| Inchi Key | RDKGWOCOLMOGRF-DFVHPHDMSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 2.13 |
| Records Key | ['2', '3'] |
| Records Name | ['taxuspine C', 'taxuspine C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
