Compound Detail
CHEMBL517927
TOMENTODIPLACONE B Enter ChEMBL ID:
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COc1cc([C@@H]2CC(=O)c3c(cc(O)c(C/C=C(\C)C/C=C/C(C)(C)O)c3O)O2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL517927 |
| Name | TOMENTODIPLACONE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHWLJHMWQFNVAC-DETBAYCCSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.72
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25735399 | 10.1021/acs.jnatprod.5b00005 | THP-1 | 2 |
| 18293924 | 10.1021/np070446u | Staphylococcus epidermidis | 1 |
| 25735399 | 10.1021/acs.jnatprod.5b00005 | NON-PROTEIN TARGET | 1 |
| 20192247 | 10.1021/np900681y | THP-1 | 1 |
| 20192247 | 10.1021/np900681y | BJ | 1 |
| 20192247 | 10.1021/np900681y | HeLa | 1 |
| 20192247 | 10.1021/np900681y | U-266 | 1 |
| 20192247 | 10.1021/np900681y | RPMI-8226 | 1 |
| 20192247 | 10.1021/np900681y | CCRF-CEM | 1 |
| 20192247 | 10.1021/np900681y | MCF7 | 1 |
| 18293924 | 10.1021/np070446u | Escherichia coli | 1 |
| 18293924 | 10.1021/np070446u | Staphylococcus aureus | 1 |
| 18293924 | 10.1021/np070446u | Listeria monocytogenes | 1 |
| 18293924 | 10.1021/np070446u | Enterococcus faecalis | 1 |
| 18293924 | 10.1021/np070446u | Bacillus subtilis | 1 |
| 18293924 | 10.1021/np070446u | Bacillus cereus | 1 |
| 18293924 | 10.1021/np070446u | Candida albicans | 1 |
| 18293924 | 10.1021/np070446u | Salmonella enteritidis | 1 |
| 18293924 | 10.1021/np070446u | Pseudomonas aeruginosa | 1 |
Data from ChEMBL 36 via Core Engine