(3R,7R,9S)-9-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),13,15(19)-tetraen-12-one
| Internal ID | 850d883a-3691-41e8-93d6-4ea731046314 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Homolycorine-type amaryllidaceae alkaloids |
| IUPAC Name | (3R,7R,9S)-9-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),13,15(19)-tetraen-12-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H19NO5/c1-19-4-3-9-5-14(21-2)17-15(16(9)19)10-6-12-13(23-8-22-12)7-11(10)18(20)24-17/h6-7,9,14,16H,3-5,8H2,1-2H3/t9-,14+,16-/m1/s1 |
| InChI Key | DJKWIYGRPQRQRV-WKFLNTIRSA-N |
| Popularity | 4 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 | 1.40 |
| There are no found synonyms. |
![2D Structure of (3R,7R,9S)-9-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),13,15(19)-tetraen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/ca0421c0-8585-11ee-be39-69d73aa95702.jpg "2D Structure of (3R,7R,9S)-9-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),2(10),13,15(19)-tetraen-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.50% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.94% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.50% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.95% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.58% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.09% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.26% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.91% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.30% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.96% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 84.56% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.43% | 99.23% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.73% | 96.43% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.42% | 89.62% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.85% | 80.78% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.59% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.13% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.69% | 98.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.09% | 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.
| Narcissus serotinus |
| PubChem | 54597956 |
| LOTUS | LTS0072378 |
| wikiData | Q104982376 |