Bioactive Compound Details
| BioID | bio139928 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL4648661 |
| Molecular Formula | C31H52O |
| Molecular Weight | 440.76 |
| Molecular Weight (Monoisotopic) | 440.4018 |
| Type | Unknown |
| Max Phase | -- |
| Target ID | Tar102 |
| Target Name | None |
| Synonyms | None |
| Smiles | C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C |
| Inchi | InChI=1S/C31H52O/c1-20(2)21(3)10-11-22(4)23-14-18-31(9)25-12-13-26-28(5,6)27(32)16-17-29(26,7)24(25)15-19-30(23,31)8/h15,20,22-23,25-27,32H,3,10-14,16-19H2,1-2,4-9H3/t22-,23-,25-,26+,27+,29-,30-,31+/m1/s1 |
| Inchi Key | BEEARZYDKRRUMX-CQYRHOJESA-N |
| Molecular Species | NEUTRAL |
| Targets | 7.0 |
| Bioactivities | 12.0 |
| Np Likeness Score | 3.5 |
| Records Key | ['AGR'] |
| Records Name | ['Agrostophillinol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
