Bioactive Compound Details
| BioID | bio1776 |
|---|---|
| Name | LACTUCAIN C |
| ChEMBL ID | CHEMBL449191 |
| Molecular Formula | C46H44O13 |
| Molecular Weight | 804.85 |
| Molecular Weight (Monoisotopic) | 804.2782 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Lactucain C |
| Smiles | C=C1C(=O)O[C@@H]2[C@H]3C(COC(=O)Cc4ccc(O)cc4)=CC(=O)C3=C(C)C[C@H](O[C@H]3CC(C)=C4C(=O)C=C(COC(=O)Cc5ccc(O)cc5)[C@@H]4[C@H]4OC(=O)[C@@H](C)[C@@H]43)[C@@H]12 |
| Inchi | InChI=1S/C46H44O13/c1-21-13-33(39-23(3)45(53)58-43(39)41-27(17-31(49)37(21)41)19-55-35(51)15-25-5-9-29(47)10-6-25)57-34-14-22(2)38-32(50)18-28(42(38)44-40(34)24(4)46(54)59-44)20-56-36(52)16-26-7-11-30(48)12-8-26/h5-12,17-18,24,33-34,39-44,47-48H,3,13-16,19-20H2,1-2,4H3/t24-,33-,34-,39+,40+,41-,42-,43-,44-/m0/s1 |
| Inchi Key | OTYHDULWLBXHKM-DCGOLSQASA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.43 |
| Records Key | ['3'] |
| Records Name | ['Lactucain C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
