(2S)-2-butyl-11-[(Z)-[(5Z)-3-methoxy-5-pyrrol-2-ylidenepyrrol-2-ylidene]methyl]-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene
| Internal ID | 32165340-a8c3-4ceb-89d7-8bc06cb3d7cd |
| Taxonomy | Organoheterocyclic compounds > Pyrroles > Substituted pyrroles > Dipyrrins |
| IUPAC Name | (2S)-2-butyl-11-[(Z)-[(5Z)-3-methoxy-5-pyrrol-2-ylidenepyrrol-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/h9,13-18,27-28H,3-8,10-12H2,1-2H3/b23-21-,24-16-/t18-/m0/s1 |
| InChI Key | JFJGSGABCGVJGJ-KIZPIYQRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H33N3O |
| Molecular Weight | 391.50 g/mol |
| Exact Mass | 391.262362685 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of (2S)-2-butyl-11-[(Z)-[(5Z)-3-methoxy-5-pyrrol-2-ylidenepyrrol-2-ylidene]methyl]-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene](https://plantaedb.com/storage/docs/compounds/2023/11/5eba6570-8536-11ee-81d0-07fc2a93a0c8.jpg "2D Structure of (2S)-2-butyl-11-[(Z)-[(5Z)-3-methoxy-5-pyrrol-2-ylidenepyrrol-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.27% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.05% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.94% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.89% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.39% | 92.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.04% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.98% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.23% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.72% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.71% | 99.18% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.24% | 86.33% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 90.16% | 95.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.13% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.58% | 92.94% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 88.89% | 92.88% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.22% | 93.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.15% | 97.09% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 87.96% | 95.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.41% | 95.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.74% | 95.50% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 85.02% | 99.29% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 81.82% | 97.05% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.97% | 96.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.88% | 93.00% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.29% | 95.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.01% | 91.81% |
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 | 50985826 |
| LOTUS | LTS0101907 |
| wikiData | Q105126707 |