(1S,13R,16S,18R)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-one
| Internal ID | 9ab71688-53f0-41f9-b51c-b0f1501bbe93 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Tazettine-type amaryllidaceae alkaloids |
| IUPAC Name | (1S,13R,16S,18R)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-one |
| SMILES (Canonical) | CN1CC2C3(C1CC(C=C3)OC)C4=CC5=C(C=C4C(=O)O2)OCO5 |
| SMILES (Isomeric) | CN1C[C@H]2[C@]3([C@@H]1C[C@H](C=C3)OC)C4=CC5=C(C=C4C(=O)O2)OCO5 |
| InChI | InChI=1S/C18H19NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-16H,5,8-9H2,1-2H3/t10-,15-,16-,18-/m0/s1 |
| InChI Key | YEISBJOTHHFANE-ORTWKNBUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H19NO5 |
| Molecular Weight | 329.30 g/mol |
| Exact Mass | 329.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1S,13R,16S,18R)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/d6ee8920-882a-11ee-a925-2920c5f5ff10.jpg "2D Structure of (1S,13R,16S,18R)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-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 | 99.24% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.44% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.69% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.35% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.52% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.79% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.12% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.18% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.36% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.49% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.04% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.49% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.45% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.70% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.90% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.95% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.32% | 91.07% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.29% | 92.62% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 81.10% | 80.96% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.13% | 82.38% |
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.
| Crinum asiaticum var. asiaticum |
| Hymenocallis littoralis |
| Ungernia spiralis |
| PubChem | 12312647 |
| LOTUS | LTS0134469 |
| wikiData | Q104403738 |