Bioactive Compound Details
| BioID | bio126562 |
|---|---|
| Name | BROMOPENTYL-3BETA-HYDROXY-URS-12-EN-28-OATE |
| ChEMBL ID | CHEMBL2283553 |
| Molecular Formula | C35H57BrO3 |
| Molecular Weight | 605.74 |
| Molecular Weight (Monoisotopic) | 604.3491 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar94 |
| Target Name | None |
| Synonyms | None |
| Smiles | C[C@H]1[C@H](C)CC[C@]2(C(=O)OCCCCCBr)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 |
| Inchi | InChI=1S/C35H57BrO3/c1-23-13-18-35(30(38)39-22-10-8-9-21-36)20-19-33(6)25(29(35)24(23)2)11-12-27-32(5)16-15-28(37)31(3,4)26(32)14-17-34(27,33)7/h11,23-24,26-29,37H,8-10,12-22H2,1-7H3/t23-,24+,26+,27-,28+,29+,32+,33-,34-,35+/m1/s1 |
| Inchi Key | GQIGISHUYSWIGR-ZUCJICFVSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 2.71 |
| Records Key | ['15'] |
| Records Name | ['Bromopentyl-3beta-hydroxy-urs-12-en-28-oate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
