Bioactive Compound Details
| BioID | bio1419 |
|---|---|
| Name | ACANTHOSESSILIOSIDE C |
| ChEMBL ID | CHEMBL2063158 |
| Molecular Formula | C37H58O12 |
| Molecular Weight | 694.86 |
| Molecular Weight (Monoisotopic) | 694.3928 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Acanthosessilioside C |
| Smiles | C=C(C)[C@@H]1C[C@H](O)[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)[C@@H](CC(=O)OC)OC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
| Inchi | InChI=1S/C37H58O12/c1-17(2)18-13-23(40)37(32(45)48-31-29(44)28(43)27(42)21(16-38)47-31)12-11-34(5)19(26(18)37)14-20(39)30-35(34,6)10-9-22-33(3,4)49-24(36(22,30)7)15-25(41)46-8/h18-24,26-31,38-40,42-44H,1,9-16H2,2-8H3/t18-,19+,20+,21+,22-,23-,24+,26+,27+,28-,29+,30-,31-,34+,35+,36+,37+/m0/s1 |
| Inchi Key | PJRCJHUXBYLHNU-RWKILBRVSA-N |
| Molecular Species | NEUTRAL |
| Targets | 8.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 2.92 |
| Records Key | ['5, Acanthosessilioside C'] |
| Records Name | ['(1R)-1,4-epoxy-11alpha,22alpha-dihydroxy-3,4-seco-lup-20(30)-ene-3,28-dioic acid 3-methyl ester 28-O-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
