Bioactive Compound Details
| BioID | bio198468 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL2035911 |
| Molecular Formula | C31H46O4 |
| Molecular Weight | 482.71 |
| Molecular Weight (Monoisotopic) | 482.3396 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Hydroxymethylene-Betulonic Acid |
| Smiles | C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C/C(=C/O)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
| Inchi | InChI=1S/C31H46O4/c1-18(2)20-10-13-31(26(34)35)15-14-29(6)21(24(20)31)8-9-23-28(5)16-19(17-32)25(33)27(3,4)22(28)11-12-30(23,29)7/h17,20-24,32H,1,8-16H2,2-7H3,(H,34,35)/b19-17-/t20-,21+,22-,23+,24+,28-,29+,30+,31-/m0/s1 |
| Inchi Key | PBIFEZQAQYZPLN-UFWUDRKBSA-N |
| Molecular Species | ACID |
| Targets | 7.0 |
| Bioactivities | 23.0 |
| Np Likeness Score | 2.74 |
| Records Key | ['12'] |
| Records Name | ['2-Hydroxymethylene-betulonic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
