Bioactive Compound Details
| BioID | bio913 |
|---|---|
| Name | TAXOL C |
| ChEMBL ID | CHEMBL306601 |
| Molecular Formula | C46H57NO14 |
| Molecular Weight | 847.96 |
| Molecular Weight (Monoisotopic) | 847.3779 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Taxol C |
| Smiles | CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C |
| Inchi | InChI=1S/C46H57NO14/c1-8-9-12-21-33(51)47-35(28-17-13-10-14-18-28)36(52)42(55)59-30-23-46(56)40(60-41(54)29-19-15-11-16-20-29)38-44(7,31(50)22-32-45(38,24-57-32)61-27(4)49)39(53)37(58-26(3)48)34(25(30)2)43(46,5)6/h10-11,13-20,30-32,35-38,40,50,52,56H,8-9,12,21-24H2,1-7H3,(H,47,51)/t30-,31-,32+,35-,36+,37+,38-,40-,44+,45-,46+/m0/s1 |
| Inchi Key | BEHTXUBGUDGCNQ-IEAAAIHOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 12.0 |
| Bioactivities | 32.0 |
| Np Likeness Score | 1.95 |
| Records Key | ['61', '5', '6', '1', '57', '2, Taxol C'] |
| Records Name | ['Taxol analogue', 'Taxoid analogue', 'taxol C', 'Taxol C', 'taxol C', 'Taxol C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
