Bioactive Compound Details
| BioID | bio535 |
|---|---|
| Name | ASPERELINE C |
| ChEMBL ID | CHEMBL541258 |
| Molecular Formula | C44H78N10O11 |
| Molecular Weight | 923.17 |
| Molecular Weight (Monoisotopic) | 922.5852 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Aspereline C |
| Smiles | CC[C@@H](C)[C@H](NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1CO |
| Inchi | InChI=1S/C44H78N10O11/c1-18-24(4)30(48-36(62)41(10,11)51-33(59)29(23(2)3)47-37(63)42(12,13)53-38(64)43(14,15)49-27(7)56)34(60)52-40(8,9)35(61)46-25(5)31(57)45-26(6)32(58)50-44(16,17)39(65)54-21-19-20-28(54)22-55/h23-26,28-30,55H,18-22H2,1-17H3,(H,45,57)(H,46,61)(H,47,63)(H,48,62)(H,49,56)(H,50,58)(H,51,59)(H,52,60)(H,53,64)/t24-,25+,26+,28+,29+,30+/m1/s1 |
| Inchi Key | HZQUHROMJDWEGY-VGFYBFODSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | -0.28 |
| Records Key | ['3'] |
| Records Name | ['aspereline C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
