PF 1018
| Internal ID | 8313b9a5-10de-42c8-860e-283ab55c4633 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizidines > Pyrrolizidinones |
| IUPAC Name | (2Z,8S)-2-[(E)-3-[(1R,4S,5S,8R,11R,12R)-2,4,5,6,8,10-hexamethyl-12-tricyclo[6.3.1.04,11]dodeca-2,6,9-trienyl]-1-hydroxyprop-2-enylidene]-5,6,7,8-tetrahydropyrrolizine-1,3-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H35NO3/c1-15-12-27(5)13-17(3)24-22(16(2)14-28(24,6)18(15)4)19(27)9-10-21(30)23-25(31)20-8-7-11-29(20)26(23)32/h9-10,12-14,18-20,22,24,30H,7-8,11H2,1-6H3/b10-9+,15-12?,23-21-/t18-,19+,20-,22+,24-,27+,28-/m0/s1 |
| InChI Key | WDPIULZTNJKEMP-RNXXFAQISA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C28H35NO3 |
| Molecular Weight | 433.60 g/mol |
| Exact Mass | 433.26169398 g/mol |
| Topological Polar Surface Area (TPSA) | 57.60 Ų |
| XlogP | 4.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 94.35% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 94.20% | 97.05% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.96% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.39% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.38% | 86.33% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 91.38% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.90% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.70% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.67% | 90.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.74% | 93.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.45% | 93.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.04% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.49% | 93.04% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.27% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.63% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.09% | 82.38% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.07% | 86.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.46% | 93.40% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.25% | 85.30% |
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 | 139586202 |
| LOTUS | LTS0035364 |
| wikiData | Q77501184 |