Bioactive Compound Details
| BioID | bio1493 |
|---|---|
| Name | RUBIYUNNANIN C |
| ChEMBL ID | CHEMBL1288982 |
| Molecular Formula | C43H52N6O11 |
| Molecular Weight | 828.92 |
| Molecular Weight (Monoisotopic) | 828.3694 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Rubiyunnanin C |
| Smiles | COC(=O)CC[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H]2Cc3ccc(O)c(c3)Oc3ccc(cc3)C[C@@H](C(=O)N2C)N(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C1=O |
| Inchi | InChI=1S/C43H52N6O11/c1-24-38(52)46-31(17-19-37(51)59-7)42(56)47(3)32(20-26-8-13-29(58-6)14-9-26)40(54)45-25(2)41(55)49(5)34-21-27-10-15-30(16-11-27)60-36-23-28(12-18-35(36)50)22-33(39(53)44-24)48(4)43(34)57/h8-16,18,23-25,31-34,50H,17,19-22H2,1-7H3,(H,44,53)(H,45,54)(H,46,52)/t24-,25+,31+,32+,33+,34+/m1/s1 |
| Inchi Key | LGZQUONMJBBEDW-DETZFJOKSA-N |
| Molecular Species | NEUTRAL |
| Targets | 13.0 |
| Bioactivities | 14.0 |
| Np Likeness Score | 1.42 |
| Records Key | ['1'] |
| Records Name | ['rubiyunnanin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
