Bioactive Compound Details
| BioID | bio1601 |
|---|---|
| Name | MICROTOENIN C |
| ChEMBL ID | CHEMBL503127 |
| Molecular Formula | C49H67N9O10 |
| Molecular Weight | 942.13 |
| Molecular Weight (Monoisotopic) | 941.5011 |
| Type | Protein |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | microtoenin C |
| Smiles | CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C1=O |
| Inchi | InChI=1S/C49H67N9O10/c1-5-29(4)41-49(68)58-23-11-15-38(58)45(64)54-35(24-28(2)3)47(66)56-21-9-14-37(56)44(63)52-33(25-30-12-7-6-8-13-30)42(61)51-34(27-40(50)60)43(62)53-36(26-31-17-19-32(59)20-18-31)48(67)57-22-10-16-39(57)46(65)55-41/h6-8,12-13,17-20,28-29,33-39,41,59H,5,9-11,14-16,21-27H2,1-4H3,(H2,50,60)(H,51,61)(H,52,63)(H,53,62)(H,54,64)(H,55,65)/t29-,33+,34+,35+,36+,37+,38+,39+,41+/m1/s1 |
| Inchi Key | VNONERHYIDZCSK-UOLIYBITSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.67 |
| Records Key | ['3, microtoenin C'] |
| Records Name | ['cyclo-(Pro1-Tyr-Asn-Phe-Pro2-Leu-Pro3-Ile)'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
