Bioactive Compound Details
| BioID | bio199532 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL496046 |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.46 |
| Molecular Weight (Monoisotopic) | 318.2195 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-oxokolavenic acid |
| Smiles | CC1=CC(=O)C[C@H]2[C@](C)(CC/C(C)=C/C(=O)O)[C@@H](C)CC[C@]12C |
| Inchi | InChI=1S/C20H30O3/c1-13(10-18(22)23)6-8-19(4)14(2)7-9-20(5)15(3)11-16(21)12-17(19)20/h10-11,14,17H,6-9,12H2,1-5H3,(H,22,23)/b13-10+/t14-,17-,19+,20+/m0/s1 |
| Inchi Key | SLMFLTPPPXRYHP-HZCFSAROSA-N |
| Molecular Species | ACID |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 3.01 |
| Records Key | ['3, 2-oxokolavenic acid'] |
| Records Name | ['2-oxocleroda-3,13E-dien-15-oic acid'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
