(2R)-2-butyl-11-[(E)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene
| Internal ID | 89e2d710-d85a-4999-8392-106c97982b49 |
| Taxonomy | Organoheterocyclic compounds > Pyrroles > Substituted pyrroles > Dipyrrins |
| IUPAC Name | (2R)-2-butyl-11-[(E)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H33N3O/c1-3-4-10-18-11-7-5-6-8-12-19-15-20(18)22(27-19)16-24-25(29-2)17-23(28-24)21-13-9-14-26-21/h9,13-18,26-27H,3-8,10-12H2,1-2H3/b24-16+/t18-/m1/s1 |
| InChI Key | TXFXBRICRNFFRR-WCIBBKAISA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C25H33N3O |
| Molecular Weight | 391.50 g/mol |
| Exact Mass | 391.262362685 g/mol |
| Topological Polar Surface Area (TPSA) | 53.20 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of (2R)-2-butyl-11-[(E)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene](https://plantaedb.com/storage/docs/compounds/2023/11/0b475750-8637-11ee-9063-6f4a50c2fe12.jpg "2D Structure of (2R)-2-butyl-11-[(E)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene")
| 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 | 98.59% | 98.95% |
| CHEMBL240 | Q12809 | HERG | 98.02% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.83% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.60% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.76% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.63% | 93.99% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.77% | 89.63% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.94% | 98.75% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 92.82% | 92.88% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.67% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.46% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.16% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.96% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.76% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.68% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.63% | 92.94% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 89.60% | 99.18% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.56% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.38% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.00% | 91.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.07% | 97.05% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.54% | 93.40% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 83.19% | 97.23% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.46% | 94.78% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 81.40% | 95.00% |
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 | 135999442 |
| LOTUS | LTS0070676 |
| wikiData | Q105266716 |