9-Methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene-11,15-diol
| Internal ID | 1ddcf501-fb9d-4bc1-b30b-aee7bad2deeb |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Crinine- and Haemanthamine-type amaryllidaceae alkaloids |
| IUPAC Name | 9-methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene-11,15-diol |
| SMILES (Canonical) | COC1=C2C(N3CCC4(C3CC(C5C4O5)O)C2=CC6=C1OCO6)O |
| SMILES (Isomeric) | COC1=C2C(N3CCC4(C3CC(C5C4O5)O)C2=CC6=C1OCO6)O |
| InChI | InChI=1S/C17H19NO6/c1-21-14-11-7(4-9-13(14)23-6-22-9)17-2-3-18(16(11)20)10(17)5-8(19)12-15(17)24-12/h4,8,10,12,15-16,19-20H,2-3,5-6H2,1H3 |
| InChI Key | LLCOGABKVKVHRW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H19NO6 |
| Molecular Weight | 333.30 g/mol |
| Exact Mass | 333.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 83.90 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 9-Methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene-11,15-diol](https://plantaedb.com/storage/docs/compounds/2023/11/d679a060-85a6-11ee-b77d-d5ad8d06697f.jpg "2D Structure of 9-Methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene-11,15-diol")
| 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 | 99.34% | 96.09% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 97.70% | 96.76% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.55% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.50% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.63% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.96% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.41% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.97% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.54% | 95.93% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.26% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.24% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.56% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.11% | 94.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.91% | 82.38% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 82.90% | 98.44% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.50% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.26% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.75% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.45% | 92.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.19% | 82.67% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.42% | 90.24% |
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 | 78180692 |
| LOTUS | LTS0177250 |
| wikiData | Q105153417 |