Bioactive Compound Details
| BioID | bio197653 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL461703 |
| Molecular Formula | C30H46O5 |
| Molecular Weight | 486.69 |
| Molecular Weight (Monoisotopic) | 486.3345 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Oxopomolic Acid |
| Smiles | C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O |
| Inchi | InChI=1S/C30H46O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,20-23,32,35H,9-16H2,1-7H3,(H,33,34)/t17-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1 |
| Inchi Key | HQZKQSIAHGHXDL-SGOBLLPSSA-N |
| Molecular Species | ACID |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 3.23 |
| Records Key | ['7', '10', '5'] |
| Records Name | ['2-oxopomolic acid', '2-oxopomolic acid', '(3beta)-3,19-dihydroxy-2-oxours-12-en-28-oic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
