Bioactive Compound Details
| BioID | bio1618 |
|---|---|
| Name | HATIVENE C |
| ChEMBL ID | CHEMBL2269281 |
| Molecular Formula | C29H44O11 |
| Molecular Weight | 568.66 |
| Molecular Weight (Monoisotopic) | 568.2884 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | None |
| Smiles | CO[C@@H]1C[C@@H]2C[C@@H]([C@@]3(C)[C@H](C)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H]3C[C@H](O)[C@H](OC(=O)C(C)C)[C@]43CO3)O[C@@H]2O1 |
| Inchi | InChI=1S/C29H44O11/c1-14(2)25(33)40-24-19(32)11-20-27(6,21-9-18-10-23(34-7)39-26(18)38-21)15(3)8-22(37-17(5)31)28(20,12-35-16(4)30)29(24)13-36-29/h14-15,18-24,26,32H,8-13H2,1-7H3/t15-,18+,19+,20-,21+,22+,23+,24+,26-,27+,28+,29-/m1/s1 |
| Inchi Key | NGGYLLJIBWFQCM-CMCLUWGQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 3.23 |
| Records Key | ['3'] |
| Records Name | ['Hativene C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
