Bioactive Compound Details
| BioID | bio197421 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL514742 |
| Molecular Formula | C31H36O8 |
| Molecular Weight | 536.62 |
| Molecular Weight (Monoisotopic) | 536.241 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Celafolin D-2 |
| Smiles | CC(=O)O[C@@H]1[C@H]2[C@@H](O)[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)CC[C@@H](C)[C@@]13OC2(C)C |
| Inchi | InChI=1S/C31H36O8/c1-18-16-17-22(37-27(34)20-12-8-6-9-13-20)30(5)26(38-28(35)21-14-10-7-11-15-21)24(33)23-25(36-19(2)32)31(18,30)39-29(23,3)4/h6-15,18,22-26,33H,16-17H2,1-5H3/t18-,22+,23-,24-,25-,26-,30+,31-/m1/s1 |
| Inchi Key | UUBGPQONOFTRCE-DVLONLDQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 2.12 |
| Records Key | ['10'] |
| Records Name | ['celafolin D-2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
