Bioactive Compound Details
| BioID | bio629 |
|---|---|
| Name | SPHINXOLIDE C |
| ChEMBL ID | CHEMBL443722 |
| Molecular Formula | C54H87NO15 |
| Molecular Weight | 990.28 |
| Molecular Weight (Monoisotopic) | 989.6076 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Sphinxolide C |
| Smiles | CO[C@H]([C@H](C)[C@H]1OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@@H]([C@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@@H]1C)[C@H]2O)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/NC=O)OC |
| Inchi | InChI=1S/C54H87NO15/c1-33-18-16-20-48(58)69-52(39(7)51(67-14)35(3)23-26-43(57)37(5)44(63-10)19-17-27-55-32-56)36(4)22-25-40(61-8)29-45(64-11)34(2)21-24-41(62-9)30-46(65-12)38(6)53-50(60)42(31-49(59)70-53)54(68-15)47(28-33)66-13/h16-18,20-22,24-25,27,31-32,34-41,44-47,50-54,60H,19,23,26,28-30H2,1-15H3,(H,55,56)/b20-16+,24-21+,25-22+,27-17+,33-18+/t34-,35-,36-,37-,38+,39-,40-,41-,44+,45-,46+,47-,50-,51-,52-,53-,54+/m0/s1 |
| Inchi Key | BLWZJERNDXARBV-LQYIOTNLSA-N |
| Molecular Species | NEUTRAL |
| Targets | 13.0 |
| Bioactivities | 13.0 |
| Np Likeness Score | 1.8 |
| Records Key | ['Sphinxolide C'] |
| Records Name | ['Sphinxolide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
