Bioactive Compound Details
| BioID | bio200129 |
|---|---|
| Name | SCHLEICHEOL 2 |
| ChEMBL ID | CHEMBL481459 |
| Molecular Formula | C30H52O2 |
| Molecular Weight | 444.74 |
| Molecular Weight (Monoisotopic) | 444.3967 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Schleicheol 2 |
| Smiles | CC[C@H](CC[C@@H](C)C1CC[C@H]2C3[C@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |
| Inchi | InChI=1S/C30H52O2/c1-8-21(19(2)3)10-9-20(4)24-11-12-25-28-26(14-16-30(24,25)6)29(5)15-13-23(31)17-22(29)18-27(28)32-7/h18-21,23-28,31H,8-17H2,1-7H3/t20-,21-,23+,24?,25+,26+,27-,28?,29+,30-/m1/s1 |
| Inchi Key | LJJLFLNKMQSUFO-WDMNAHHQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 7.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 2.87 |
| Records Key | ['9, Schleicheol 2'] |
| Records Name | ['3beta-hydroxy-7alpha-methoxy-24beta-ethyl-cholest-5-ene'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
