(1R,13R,16R,18S)-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-16-ol
| Internal ID | fef5fdc5-212b-48b7-8194-d97e968d8b9d |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Tazettine-type amaryllidaceae alkaloids |
| IUPAC Name | (1R,13R,16R,18S)-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-16-ol |
| SMILES (Canonical) | CN1CC2C3(C1(CC(C=C3)OC)O)C4=CC5=C(C=C4CO2)OCO5 |
| SMILES (Isomeric) | CN1C[C@H]2[C@]3([C@@]1(C[C@@H](C=C3)OC)O)C4=CC5=C(C=C4CO2)OCO5 |
| InChI | InChI=1S/C18H21NO5/c1-19-8-16-17(4-3-12(21-2)7-18(17,19)20)13-6-15-14(23-10-24-15)5-11(13)9-22-16/h3-6,12,16,20H,7-10H2,1-2H3/t12-,16+,17-,18-/m1/s1 |
| InChI Key | ZVNSBKFBDYINRB-QRVDHSFSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H21NO5 |
| Molecular Weight | 331.40 g/mol |
| Exact Mass | 331.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (1R,13R,16R,18S)-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-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/11d8f9d0-855c-11ee-89e0-35f2520a2804.jpg "2D Structure of (1R,13R,16R,18S)-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-16-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.45% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.40% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.26% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.87% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.40% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.92% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.71% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.04% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.01% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.03% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.32% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.18% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.92% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.92% | 92.94% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.83% | 97.28% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.29% | 100.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.17% | 90.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.15% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.24% | 94.00% |
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.
| Hymenocallis littoralis |
| PubChem | 10496716 |
| LOTUS | LTS0216964 |
| wikiData | Q105384468 |