Pretilactam
| Internal ID | 9d1af2dc-3da8-4128-a7e5-6d25c8c013b5 |
| Taxonomy | Organoheterocyclic compounds > Oxanes |
| IUPAC Name | (1R,5E,9R,11E,21Z,23R,25R,26S)-25,26-dihydroxy-9,18-dimethyl-27-oxa-8-azabicyclo[21.3.1]heptacosa-3,5,11,13,15,17,19,21-octaen-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H35NO4/c1-21-14-8-5-3-4-6-9-16-22(2)28-26(30)19-11-7-10-18-25-27(31)24(29)20-23(32-25)17-13-12-15-21/h3-15,17,19,22-25,27,29,31H,16,18,20H2,1-2H3,(H,28,30)/b4-3?,8-5?,9-6+,10-7?,15-12?,17-13-,19-11+,21-14?/t22-,23+,24-,25-,27+/m1/s1 |
| InChI Key | ZSTCCVJYKCWCOU-JFVUHASKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H35NO4 |
| Molecular Weight | 437.60 g/mol |
| Exact Mass | 437.25660860 g/mol |
| Topological Polar Surface Area (TPSA) | 78.80 Ų |
| XlogP | 5.00 |
| 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 | 93.78% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.76% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.12% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.54% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.97% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.10% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.74% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.44% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.89% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.51% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.45% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.67% | 90.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.54% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.70% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.54% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.21% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.29% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 80.21% | 86.00% |
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 | 146682614 |
| LOTUS | LTS0204199 |
| wikiData | Q105382697 |