(2S,4R,9aS)-4-(3-hydroxy-4-methoxyphenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol
| Internal ID | 6aea0ad7-f15e-4309-ac37-8f442ff6f1f0 |
| Taxonomy | Organoheterocyclic compounds > Piperidines > Phenylpiperidines |
| IUPAC Name | (2S,4R,9aS)-4-(3-hydroxy-4-methoxyphenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-ol |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C2CC(CC3N2CCCC3)O)O |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)[C@H]2C[C@H](C[C@H]3N2CCCC3)O)O |
| InChI | InChI=1S/C16H23NO3/c1-20-16-6-5-11(8-15(16)19)14-10-13(18)9-12-4-2-3-7-17(12)14/h5-6,8,12-14,18-19H,2-4,7,9-10H2,1H3/t12-,13-,14+/m0/s1 |
| InChI Key | CRYPKWICPCFQOE-MELADBBJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H23NO3 |
| Molecular Weight | 277.36 g/mol |
| Exact Mass | 277.16779360 g/mol |
| Topological Polar Surface Area (TPSA) | 52.90 Ų |
| XlogP | 2.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.39% | 96.09% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 94.08% | 88.48% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.63% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.50% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.30% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.12% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.96% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.59% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.89% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.14% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.79% | 95.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 84.64% | 99.18% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 84.61% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.56% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.88% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.74% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.19% | 94.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.93% | 95.78% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.08% | 93.03% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.02% | 90.24% |
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.
| Heimia salicifolia |
| PubChem | 163074374 |
| LOTUS | LTS0185629 |
| wikiData | Q104969006 |