(1S,13S,16S,18R)-18-methoxy-12,15-dimethyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one
| Internal ID | de54fc41-42da-4e3e-a3d4-fe372b951542 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | (1S,13S,16S,18R)-18-methoxy-12,15-dimethyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one |
| SMILES (Canonical) | CN1CC2=CC3=C(C=C2C45C1C(=O)N(C4CC(C=C5)OC)C)OCO3 |
| SMILES (Isomeric) | CN1CC2=CC3=C(C=C2[C@]45[C@H]1C(=O)N([C@H]4C[C@H](C=C5)OC)C)OCO3 |
| InChI | InChI=1S/C19H22N2O4/c1-20-9-11-6-14-15(25-10-24-14)8-13(11)19-5-4-12(23-3)7-16(19)21(2)18(22)17(19)20/h4-6,8,12,16-17H,7,9-10H2,1-3H3/t12-,16-,17+,19-/m0/s1 |
| InChI Key | VGYPIERRFRENJI-CTSOBWNQSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H22N2O4 |
| Molecular Weight | 342.40 g/mol |
| Exact Mass | 342.15795719 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of (1S,13S,16S,18R)-18-methoxy-12,15-dimethyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/53f60d20-85c3-11ee-b598-9d1fd59c4761.jpg "2D Structure of (1S,13S,16S,18R)-18-methoxy-12,15-dimethyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-14-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.73% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.39% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.99% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.67% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.82% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.96% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.82% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.94% | 97.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.32% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.13% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.76% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.01% | 97.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.41% | 82.38% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.68% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.38% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.37% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.89% | 91.07% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.97% | 90.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.86% | 99.23% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.79% | 80.96% |
| CHEMBL240 | Q12809 | HERG | 81.15% | 89.76% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.98% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.92% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.84% | 89.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 80.53% | 96.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.42% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.13% | 95.89% |
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.
| Zephyranthes candida |
| PubChem | 71463265 |
| LOTUS | LTS0133799 |
| wikiData | Q105286233 |