(4-methyl-6-octa-1,3-dienyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl) acetate
| Internal ID | 764f4844-7137-4619-b1c4-bc79e92cd7a0 |
| Taxonomy | Organoheterocyclic compounds > Quinolizines |
| IUPAC Name | (4-methyl-6-octa-1,3-dienyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl) acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H33NO2/c1-4-5-6-7-8-9-11-18-12-10-13-19-14-15-20(23-17(3)22)16(2)21(18)19/h7-9,11,16,18-20H,4-6,10,12-15H2,1-3H3 |
| InChI Key | QFCXPIZNNLLXTL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H33NO2 |
| Molecular Weight | 319.50 g/mol |
| Exact Mass | 319.251129295 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.11% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.78% | 96.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.42% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.64% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.47% | 99.17% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 90.69% | 97.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.67% | 96.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.77% | 94.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.23% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.64% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.63% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.43% | 96.47% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.56% | 99.18% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.43% | 95.50% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.38% | 92.50% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 80.75% | 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 | 78422598 |
| LOTUS | LTS0083903 |
| wikiData | Q105219487 |