20-Methyl-5,7,12-trioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-ol
| Internal ID | cdeb5b11-7d83-44fb-9ef7-88c1936a8b1d |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Gracilline-type amaryllidaceae alkaloids |
| IUPAC Name | 20-methyl-5,7,12-trioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-ol |
| SMILES (Canonical) | CN1CCC23C1(CC(C=C2)O)OCC4=CC5=C(C=C34)OCO5 |
| SMILES (Isomeric) | CN1CCC23C1(CC(C=C2)O)OCC4=CC5=C(C=C34)OCO5 |
| InChI | InChI=1S/C17H19NO4/c1-18-5-4-16-3-2-12(19)8-17(16,18)22-9-11-6-14-15(7-13(11)16)21-10-20-14/h2-3,6-7,12,19H,4-5,8-10H2,1H3 |
| InChI Key | RVGHIJPVZJBFEH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H19NO4 |
| Molecular Weight | 301.34 g/mol |
| Exact Mass | 301.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 20-Methyl-5,7,12-trioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-ol](https://plantaedb.com/storage/docs/compounds/2023/11/20-methyl-5712-trioxa-20-azapentacyclo114301130210048icosa-248916-tetraen-15-ol.jpg "2D Structure of 20-Methyl-5,7,12-trioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,16-tetraen-15-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.17% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.16% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.73% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.21% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.48% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.13% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.03% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.03% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.83% | 85.14% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.67% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.90% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.55% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.46% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.64% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.50% | 90.71% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 80.42% | 92.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.36% | 92.62% |
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.
| Galanthus gracilis |
| PubChem | 73193544 |
| LOTUS | LTS0108515 |
| wikiData | Q105246017 |