Cyanosporaside E
| Internal ID | 08316d47-1ad8-49b3-b453-28f721a79d27 |
| Taxonomy | Benzenoids > Indenes and isoindenes |
| IUPAC Name | 2-[(1S,8bR)-5-chloro-1,8b-dihydroxy-1H-cyclopenta[a]inden-7-yl]acetonitrile |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H10ClNO2/c15-12-6-8(3-4-16)5-11-10(12)7-9-1-2-13(17)14(9,11)18/h1-2,5-7,13,17-18H,3H2/t13-,14+/m0/s1 |
| InChI Key | FXSJXHBMLMIZOI-UONOGXRCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H10ClNO2 |
| Molecular Weight | 259.69 g/mol |
| Exact Mass | 259.0400063 g/mol |
| Topological Polar Surface Area (TPSA) | 64.30 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.50% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.06% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.27% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.05% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.63% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.79% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.10% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.51% | 96.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.29% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.96% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.17% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.61% | 86.33% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 81.45% | 97.78% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 102195494 |
| LOTUS | LTS0082329 |
| wikiData | Q77572970 |