Bioactive Compound Details
| BioID | bio197589 |
|---|---|
| Name | CYCLOSPONGIAQUINONE-2 |
| ChEMBL ID | CHEMBL2386283 |
| Molecular Formula | C22H30O4 |
| Molecular Weight | 358.48 |
| Molecular Weight (Monoisotopic) | 358.2144 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | None |
| Smiles | COC1=CC(=O)C2=C(C[C@]3(O2)[C@@H](C)CC[C@H]2C(C)(C)CCC[C@@]23C)C1=O |
| Inchi | InChI=1S/C22H30O4/c1-13-7-8-17-20(2,3)9-6-10-21(17,4)22(13)12-14-18(24)16(25-5)11-15(23)19(14)26-22/h11,13,17H,6-10,12H2,1-5H3/t13-,17-,21-,22-/m0/s1 |
| Inchi Key | VRSIWRODZNLGCQ-IGPXYBRXSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 3.08 |
| Records Key | ['9'] |
| Records Name | ['Cyclospongiaquinone-2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
