(6aR,12aS,12bS)-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one
| Internal ID | aeccb341-1e26-4d8b-b3a4-56c55fb55de5 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | (6aR,12aS,12bS)-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one |
| SMILES (Canonical) | CC1=C2C(=CC=C1)OC3CCN4CCCC4C3C2=O |
| SMILES (Isomeric) | CC1=C2C(=CC=C1)O[C@@H]3CCN4CCC[C@H]4[C@@H]3C2=O |
| InChI | InChI=1S/C16H19NO2/c1-10-4-2-6-12-14(10)16(18)15-11-5-3-8-17(11)9-7-13(15)19-12/h2,4,6,11,13,15H,3,5,7-9H2,1H3/t11-,13+,15-/m0/s1 |
| InChI Key | DXTYYNIKCKARPP-LNSITVRQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H19NO2 |
| Molecular Weight | 257.33 g/mol |
| Exact Mass | 257.141578849 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (6aR,12aS,12bS)-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/6ar12as12bs-11-methyl-123566a12a12b-octahydrochromeno23-gindolizin-12-one.jpg "2D Structure of (6aR,12aS,12bS)-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.58% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.99% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.21% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.82% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.45% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.08% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.55% | 93.65% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 86.88% | 83.14% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 86.36% | 80.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.92% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.53% | 93.04% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.25% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.01% | 82.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.95% | 89.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 82.84% | 86.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.83% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.70% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.60% | 93.03% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 81.01% | 99.18% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 81.01% | 95.48% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.44% | 96.09% |
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.
| Elaeocarpus angustifolius |
| Elaeocarpus polydactylus |
| PubChem | 10890552 |
| LOTUS | LTS0127579 |
| wikiData | Q104991192 |