Bioactive Compound Details
| BioID | bio1122 |
|---|---|
| Name | APIGENOSYLIDE C |
| ChEMBL ID | CHEMBL558750 |
| Molecular Formula | C37H44O14 |
| Molecular Weight | 712.74 |
| Molecular Weight (Monoisotopic) | 712.2731 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Apigenosylide C |
| Smiles | CCCCCCCCCC[C@@H]1c2c(cc(O)c3c(=O)cc(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)oc23)OO[C@@]12C(=O)O[C@H](C)C2=O |
| Inchi | InChI=1S/C37H44O14/c1-3-4-5-6-7-8-9-10-11-22-28-26(50-51-37(22)34(44)19(2)46-36(37)45)17-24(40)29-23(39)16-25(48-33(28)29)20-12-14-21(15-13-20)47-35-32(43)31(42)30(41)27(18-38)49-35/h12-17,19,22,27,30-32,35,38,40-43H,3-11,18H2,1-2H3/t19-,22-,27-,30-,31+,32-,35-,37+/m1/s1 |
| Inchi Key | ZJALRPNVJCQEOV-KSUSMGBUSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.06 |
| Records Key | ['6'] |
| Records Name | ['Apigenosylide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
