Bioactive Compound Details
| BioID | bio198043 |
|---|---|
| Name | MELIASTATIN 2 |
| ChEMBL ID | CHEMBL465434 |
| Molecular Formula | C31H48O5 |
| Molecular Weight | 500.72 |
| Molecular Weight (Monoisotopic) | 500.3502 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Meliastatin 2 |
| Smiles | COC(=O)[C@H](C/C=C/C(C)(C)O)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C |
| Inchi | InChI=1S/C31H48O5/c1-27(2,35)15-9-10-19(26(34)36-8)25-22(32)18-31(7)21-11-12-23-28(3,4)24(33)14-16-29(23,5)20(21)13-17-30(25,31)6/h9,11,15,19-20,22-23,25,32,35H,10,12-14,16-18H2,1-8H3/b15-9+/t19-,20+,22+,23+,25-,29-,30+,31-/m1/s1 |
| Inchi Key | KTEXQEFLIOIDKM-GEMWEJHDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 7.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 3.53 |
| Records Key | ['2'] |
| Records Name | ['Meliastatin 2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
