Pallidorosetin A
| Internal ID | 406af7cd-4f84-4a01-98be-b2d687ae51fb |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > N-alkylpyrrolidines |
| IUPAC Name | (5S)-3-[[(1S,2R,4aS,6S,8aR)-6-hydroxy-1,6-dimethyl-2-[(E)-prop-1-enyl]-2,4a,5,7,8,8a-hexahydronaphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H31NO5/c1-5-6-14-8-7-13-11-21(2,28)10-9-15(13)22(14,3)19(26)17-18(25)16(12-24)23(4)20(17)27/h5-8,13-16,24,26,28H,9-12H2,1-4H3/b6-5+,19-17?/t13-,14-,15-,16+,21+,22-/m1/s1 |
| InChI Key | UBMMPGHGWNFULV-JVTHKHLYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H31NO5 |
| Molecular Weight | 389.50 g/mol |
| Exact Mass | 389.22022309 g/mol |
| Topological Polar Surface Area (TPSA) | 98.10 Ų |
| XlogP | 2.40 |
| CHEBI:203444 |
| (5S)-3-[[(1S,2R,4aS,6S,8aR)-6-hydroxy-1,6-dimethyl-2-[(E)-prop-1-enyl]-2,4a,5,7,8,8a-hexahydronaphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione |
| 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 | 96.65% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.91% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.61% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.54% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.78% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.14% | 95.93% |
| CHEMBL4072 | P07858 | Cathepsin B | 88.86% | 93.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.68% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.72% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.61% | 93.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 83.90% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.31% | 91.11% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.99% | 96.43% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.89% | 90.24% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.69% | 90.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.82% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.80% | 90.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139584905 |
| LOTUS | LTS0074368 |
| wikiData | Q77377760 |