Bioactive Compound Details
| BioID | bio641 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1171984 |
| Molecular Formula | C29H40O11 |
| Molecular Weight | 564.63 |
| Molecular Weight (Monoisotopic) | 564.2571 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | 2Beta-Hydroxyarisanlactone C |
| Smiles | C[C@H]([C@H](O)[C@@H]1C[C@@H](C)C(=O)O1)[C@@H]1[C@H]2[C@]1(C)CC[C@@]13O[C@]2(O)C(=O)[C@@H]1CC[C@H]1C(C)(C)O[C@@H]2[C@@H](O)C(=O)O[C@@]21[C@H]3O |
| Inchi | InChI=1S/C29H40O11/c1-11-10-14(37-22(11)33)17(30)12(2)16-19-26(16,5)8-9-27-13(20(32)29(19,36)40-27)6-7-15-25(3,4)38-21-18(31)23(34)39-28(15,21)24(27)35/h11-19,21,24,30-31,35-36H,6-10H2,1-5H3/t11-,12+,13+,14+,15+,16-,17+,18-,19+,21-,24+,26-,27-,28-,29+/m1/s1 |
| Inchi Key | LLEMQBRGGMFRMI-PMAKBTIZSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.67 |
| Records Key | ['4'] |
| Records Name | ['2beta-Hydroxyarisanlactone C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
