(19R)-19-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
| Internal ID | daa6cf18-30e6-46b1-8470-4ecd8353f0c9 |
| Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Dihydrobenzophenanthridine alkaloids |
| IUPAC Name | (19R)-19-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene |
| SMILES (Canonical) | CN1CC2=C(C=CC3=C2OC(O3)OC)C4=C1C5=CC6=C(C=C5C=C4)OCO6 |
| SMILES (Isomeric) | CN1CC2=C(C=CC3=C2O[C@@H](O3)OC)C4=C1C5=CC6=C(C=C5C=C4)OCO6 |
| InChI | InChI=1S/C21H17NO5/c1-22-9-15-12(5-6-16-20(15)27-21(23-2)26-16)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)22/h3-8,21H,9-10H2,1-2H3/t21-/m1/s1 |
| InChI Key | BRZXFPIICBTVFX-OAQYLSRUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H17NO5 |
| Molecular Weight | 363.40 g/mol |
| Exact Mass | 363.11067264 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (19R)-19-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene](https://plantaedb.com/storage/docs/compounds/2023/11/5e366a30-8674-11ee-97f0-93b0eb5e10a1.jpg "2D Structure of (19R)-19-methoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene")
| 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 |
|---|---|---|---|---|
| CHEMBL2039 | P27338 | Monoamine oxidase B | 98.01% | 92.51% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.29% | 91.49% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.78% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 90.89% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.45% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.19% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 89.80% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.73% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.08% | 91.11% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 88.87% | 93.65% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.63% | 92.62% |
| CHEMBL240 | Q12809 | HERG | 88.27% | 89.76% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.77% | 94.80% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.93% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.69% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.64% | 95.56% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.60% | 80.96% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.35% | 93.31% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 82.96% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.84% | 94.45% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.79% | 96.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.55% | 82.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.21% | 90.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.12% | 95.53% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.80% | 89.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 80.17% | 95.12% |
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.
| Argemone mexicana |
| PubChem | 163070172 |
| LOTUS | LTS0218892 |
| wikiData | Q104945113 |