(3R,3aR)-3-(4-methoxyphenyl)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazole
| Internal ID | c8efa72f-52b2-4715-abc1-f9702426bac7 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolopyrazoles |
| IUPAC Name | (3R,3aR)-3-(4-methoxyphenyl)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazole |
| SMILES (Canonical) | COC1=CC=C(C=C1)C2C=NN3C2CCC3 |
| SMILES (Isomeric) | COC1=CC=C(C=C1)[C@H]2C=NN3[C@@H]2CCC3 |
| InChI | InChI=1S/C13H16N2O/c1-16-11-6-4-10(5-7-11)12-9-14-15-8-2-3-13(12)15/h4-7,9,12-13H,2-3,8H2,1H3/t12-,13-/m1/s1 |
| InChI Key | PBDGBPMJSGCVLA-CHWSQXEVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H16N2O |
| Molecular Weight | 216.28 g/mol |
| Exact Mass | 216.126263138 g/mol |
| Topological Polar Surface Area (TPSA) | 24.80 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (3R,3aR)-3-(4-methoxyphenyl)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazole](https://plantaedb.com/storage/docs/compounds/2023/11/3r3ar-3-4-methoxyphenyl-3a456-tetrahydro-3h-pyrrolo12-bpyrazole.jpg "2D Structure of (3R,3aR)-3-(4-methoxyphenyl)-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazole")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.24% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.24% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.37% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.85% | 95.89% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.62% | 99.18% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.09% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.54% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.45% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.07% | 91.11% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 82.61% | 97.53% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.57% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.55% | 82.69% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 80.90% | 92.86% |
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.
| Newbouldia laevis |
| PubChem | 163039581 |
| LOTUS | LTS0193311 |
| wikiData | Q105205085 |