Bioactive Compound Details
| BioID | bio380 |
|---|---|
| Name | CHLORAMULTILIDE C |
| ChEMBL ID | CHEMBL1097992 |
| Molecular Formula | C39H42O14 |
| Molecular Weight | 734.75 |
| Molecular Weight (Monoisotopic) | 734.2575 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Chloramultilide C |
| Smiles | CC1=C2C3=C4[C@](C)([C@@H]5C[C@@H]5[C@@]4(O)C[C@@H]4[C@]35OC(=O)C3=C5C[C@H]5[C@](O)(COC(=O)/C(C)=C/COC(=O)CCC(=O)OC3)[C@H]3C[C@H]3[C@]45C)[C@@H](O)[C@@]2(O)OC1=O |
| Inchi | InChI=1S/C39H42O14/c1-15-7-8-49-25(40)5-6-26(41)50-13-17-18-11-23-34(3,19-9-22(19)37(23,47)14-51-30(15)42)24-12-36(46)21-10-20(21)35(4)29(36)28(38(18,24)52-32(17)44)27-16(2)31(43)53-39(27,48)33(35)45/h7,19-24,33,45-48H,5-6,8-14H2,1-4H3/b15-7+/t19-,20-,21+,22+,23-,24+,33-,34+,35+,36+,37+,38+,39+/m1/s1 |
| Inchi Key | VAOZXVGMCZGLOH-BQPKVCGRSA-N |
| Molecular Species | NEUTRAL |
| Targets | 8.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 2.6 |
| Records Key | ['Chloramultilide C', '2', '39'] |
| Records Name | ['Chloramultilide C', 'chloramultilide C', 'chloramultilide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
