Bioactive Compound Details
| BioID | bio197927 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL443615 |
| Molecular Formula | C46H62O3 |
| Molecular Weight | 663.0 |
| Molecular Weight (Monoisotopic) | 662.4699 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 3,44-Dioxopetroformyne 2 |
| Smiles | C#CC(=O)/C=C/CC/C=C\CCCC/C=C\CCC#CC(O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/C(=O)C#C |
| Inchi | InChI=1S/C46H62O3/c1-3-44(47)40-36-32-28-24-20-16-12-10-8-6-5-7-9-11-13-18-22-26-30-34-38-42-46(49)43-39-35-31-27-23-19-15-14-17-21-25-29-33-37-41-45(48)4-2/h1-2,13,18,21,23,25,27,30,34,36-37,40-41,46,49H,5-12,14-17,19-20,22,24,26,28-29,31-33,35H2/b18-13-,25-21-,27-23-,34-30+,40-36+,41-37+ |
| Inchi Key | YGBGFUYKIMMYRJ-CAZKDLJQSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 1.36 |
| Records Key | ['16'] |
| Records Name | ['3,44-dioxopetroformyne 2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
