(1R,13R,15R,16S,18R,19S)-9,15-dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-trien-19-ol
| Internal ID | c0109184-9ed1-48d5-9bbc-7d89c506cc35 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Crinine- and Haemanthamine-type amaryllidaceae alkaloids |
| IUPAC Name | (1R,13R,15R,16S,18R,19S)-9,15-dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-trien-19-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H21NO6/c1-21-10-4-12-18(17-16(10)25-17)9-3-11-15(24-7-23-11)14(22-2)8(9)5-19(12)6-13(18)20/h3,10,12-13,16-17,20H,4-7H2,1-2H3/t10-,12-,13-,16+,17+,18-/m1/s1 |
| InChI Key | GKZWOVRDMISXTE-NQJBCUCHSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H21NO6 |
| Molecular Weight | 347.40 g/mol |
| Exact Mass | 347.13688739 g/mol |
| Topological Polar Surface Area (TPSA) | 72.90 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of (1R,13R,15R,16S,18R,19S)-9,15-dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-trien-19-ol](https://plantaedb.com/storage/docs/compounds/2023/11/cc03ad60-8647-11ee-aabe-055b71210cfa.jpg "2D Structure of (1R,13R,15R,16S,18R,19S)-9,15-dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-trien-19-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.99% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.59% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.57% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.48% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.21% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.89% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.58% | 93.40% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.62% | 82.38% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.59% | 80.96% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.69% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.68% | 85.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.48% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.36% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.02% | 92.94% |
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.
| Ammocharis tinneana |
| PubChem | 162985204 |
| LOTUS | LTS0086248 |
| wikiData | Q105010641 |