12-Methyl-6,8,18,20-tetraoxa-12-azahexacyclo[11.11.0.02,10.05,9.015,23.017,21]tetracosa-2(10),3,5(9),15,17(21),22-hexaen-24-one
| Internal ID | 61743c47-9089-46ce-bc7e-def9c18b98fe |
| Taxonomy | Alkaloids and derivatives > Protopine alkaloids |
| IUPAC Name | 12-methyl-6,8,18,20-tetraoxa-12-azahexacyclo[11.11.0.02,10.05,9.015,23.017,21]tetracosa-2(10),3,5(9),15,17(21),22-hexaen-24-one |
| SMILES (Canonical) | CN1CC2=C(C=CC3=C2OCO3)C4C1CC5=CC6=C(C=C5C4=O)OCO6 |
| SMILES (Isomeric) | CN1CC2=C(C=CC3=C2OCO3)C4C1CC5=CC6=C(C=C5C4=O)OCO6 |
| InChI | InChI=1S/C20H17NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(21)4-10-5-16-17(25-8-24-16)6-12(10)19(18)22/h2-3,5-6,14,18H,4,7-9H2,1H3 |
| InChI Key | GTRPODKMSBFDOI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H17NO5 |
| Molecular Weight | 351.40 g/mol |
| Exact Mass | 351.11067264 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 12-Methyl-6,8,18,20-tetraoxa-12-azahexacyclo[11.11.0.02,10.05,9.015,23.017,21]tetracosa-2(10),3,5(9),15,17(21),22-hexaen-24-one](https://plantaedb.com/storage/docs/compounds/2023/11/2e210400-86f2-11ee-9afb-d368212dd3be.jpg "2D Structure of 12-Methyl-6,8,18,20-tetraoxa-12-azahexacyclo[11.11.0.02,10.05,9.015,23.017,21]tetracosa-2(10),3,5(9),15,17(21),22-hexaen-24-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.59% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 97.54% | 93.40% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.46% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.08% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.38% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.57% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.54% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.29% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.63% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.07% | 93.31% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.82% | 80.96% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.39% | 100.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 83.46% | 95.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.20% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.77% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.70% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.36% | 94.80% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 81.32% | 81.29% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.27% | 90.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.80% | 93.65% |
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.
| Corydalis ambigua |
| Fumaria vaillantii |
| PubChem | 162965392 |
| LOTUS | LTS0056265 |
| wikiData | Q105019358 |