(-)-Pyrifolidine
| Internal ID | c9bc9985-f5cc-4452-b114-63fc2508aa03 |
| Taxonomy | Alkaloids and derivatives > Aspidospermatan-type alkaloids |
| IUPAC Name | 1-(12-ethyl-5,6-dimethoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl)ethanone |
| SMILES (Canonical) | CCC12CCCN3C1C4(CC3)C(CC2)N(C5=C4C=CC(=C5OC)OC)C(=O)C |
| SMILES (Isomeric) | CCC12CCCN3C1C4(CC3)C(CC2)N(C5=C4C=CC(=C5OC)OC)C(=O)C |
| InChI | InChI=1S/C23H32N2O3/c1-5-22-10-6-13-24-14-12-23(21(22)24)16-7-8-17(27-3)20(28-4)19(16)25(15(2)26)18(23)9-11-22/h7-8,18,21H,5-6,9-14H2,1-4H3 |
| InChI Key | BTDUGGGJFMJNOB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H32N2O3 |
| Molecular Weight | 384.50 g/mol |
| Exact Mass | 384.24129289 g/mol |
| Topological Polar Surface Area (TPSA) | 42.00 Ų |
| XlogP | 3.30 |
| Pyrifolidine |
| Pyrifolidin |
| 16-Methoxyaspidospermine |
| BTDUGGGJFMJNOB-UHFFFAOYSA-N |
| CHEBI:171724 |
| 1-Acetyl-16,17-dimethoxyaspidospermidine # |
| Aspidospermidine, 1-acetyl-16,17-dimethoxy- |
| 1-(12-ethyl-5,6-dimethoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-8-yl)ethanone |
| 1-{12-ethyl-5,6-dimethoxy-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2,4,6-trien-8-yl}ethan-1-one |
| 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 | 99.33% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.52% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.02% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.48% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.37% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.49% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.25% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.11% | 95.89% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 86.45% | 94.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.38% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.87% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.74% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.67% | 94.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.17% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.25% | 90.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.00% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.54% | 92.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.23% | 94.33% |
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.
| Aspidosperma quebracho-blanco |
| PubChem | 579923 |
| LOTUS | LTS0051006 |
| wikiData | Q104250854 |