methyl (3aS,4Z,7S,8R,11aS)-7-[2-(furan-3-yl)ethyl]-7,8-dimethyl-11-methylidene-1,3a,6,8,9,10-hexahydrocyclodeca[c]pyrazole-11a-carboxylate
| Internal ID | f052c570-f3ef-467f-a29e-7ceea5d2250c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | methyl (3aS,4Z,7S,8R,11aS)-7-[2-(furan-3-yl)ethyl]-7,8-dimethyl-11-methylidene-1,3a,6,8,9,10-hexahydrocyclodeca[c]pyrazole-11a-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H30N2O3/c1-16-7-8-17(2)22(20(25)26-4)19(14-23-24-22)6-5-11-21(16,3)12-9-18-10-13-27-15-18/h5-6,10,13-16,19,24H,2,7-9,11-12H2,1,3-4H3/b6-5-/t16-,19-,21-,22-/m1/s1 |
| InChI Key | KYFFDWMRQAXSTR-IPICDUNHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H30N2O3 |
| Molecular Weight | 370.50 g/mol |
| Exact Mass | 370.22564282 g/mol |
| Topological Polar Surface Area (TPSA) | 63.80 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of methyl (3aS,4Z,7S,8R,11aS)-7-[2-(furan-3-yl)ethyl]-7,8-dimethyl-11-methylidene-1,3a,6,8,9,10-hexahydrocyclodeca[c]pyrazole-11a-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/0ce166a0-86a8-11ee-b99f-258add5dc412.jpg "2D Structure of methyl (3aS,4Z,7S,8R,11aS)-7-[2-(furan-3-yl)ethyl]-7,8-dimethyl-11-methylidene-1,3a,6,8,9,10-hexahydrocyclodeca[c]pyrazole-11a-carboxylate")
| 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 | 98.64% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.07% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.39% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.31% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.68% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.88% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.49% | 94.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 89.69% | 97.28% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.69% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.58% | 97.25% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.32% | 92.88% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.28% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.41% | 99.17% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.82% | 94.80% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.98% | 98.59% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.75% | 95.89% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 81.89% | 92.51% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.35% | 94.73% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.03% | 89.63% |
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 | 162932916 |
| LOTUS | LTS0087669 |
| wikiData | Q105147693 |