Bioactive Compound Details
| BioID | bio1354 |
|---|---|
| Name | LYCIUMIN C |
| ChEMBL ID | CHEMBL505660 |
| Molecular Formula | C50H59N9O12 |
| Molecular Weight | 978.07 |
| Molecular Weight (Monoisotopic) | 977.4283 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Lyciumin C |
| Smiles | COC(=O)[C@@H]1Cc2cn(c3ccccc23)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N1 |
| Inchi | InChI=1S/C50H59N9O12/c1-27(2)41-47(67)53-34(22-28-10-5-4-6-11-28)43(63)55-37(26-60)45(65)54-36(50(70)71-3)24-30-25-59(38-13-8-7-12-32(30)38)42(48(68)56-41)57-44(64)35(23-29-15-17-31(61)18-16-29)52-46(66)39-14-9-21-58(39)49(69)33-19-20-40(62)51-33/h4-8,10-13,15-18,25,27,33-37,39,41-42,60-61H,9,14,19-24,26H2,1-3H3,(H,51,62)(H,52,66)(H,53,67)(H,54,65)(H,55,63)(H,56,68)(H,57,64)/t33-,34-,35-,36-,37-,39-,41-,42+/m0/s1 |
| Inchi Key | HCCOYHQCWLIMRA-HDNCMCGHSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.36 |
| Records Key | ['3'] |
| Records Name | ['Lyciumin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
