Bioactive Compound Details
| BioID | bio1539 |
|---|---|
| Name | CYCLOMONTANIN C |
| ChEMBL ID | CHEMBL505294 |
| Molecular Formula | C51H67N13O12 |
| Molecular Weight | 1054.18 |
| Molecular Weight (Monoisotopic) | 1053.5032 |
| Type | Protein |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Cyclomontanin C |
| Smiles | CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O |
| Inchi | InChI=1S/C51H67N13O12/c1-27(2)41-48(73)59-35(24-40(53)67)45(70)60-36(21-30-14-8-5-9-15-30)50(75)64-19-11-17-38(64)51(76)63-18-10-16-37(63)47(72)62-42(28(3)65)49(74)58-32(20-29-12-6-4-7-13-29)43(68)57-34(23-39(52)66)44(69)56-33(46(71)61-41)22-31-25-54-26-55-31/h4-9,12-15,25-28,32-38,41-42,65H,10-11,16-24H2,1-3H3,(H2,52,66)(H2,53,67)(H,54,55)(H,56,69)(H,57,68)(H,58,74)(H,59,73)(H,60,70)(H,61,71)(H,62,72)/t28-,32+,33+,34+,35+,36+,37+,38+,41+,42+/m1/s1 |
| Inchi Key | POVFXEIWKRHEKP-GCGRWEQZSA-N |
| Molecular Species | None |
| Targets | 1.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | None |
| Records Key | ['3'] |
| Records Name | ['cyclomontanin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
