2,9-Dihydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
| Internal ID | f1c1d53b-2bf4-46ee-9b35-5dcb4bba02cc |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Homolycorine-type amaryllidaceae alkaloids |
| IUPAC Name | 2,9-dihydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one |
| SMILES (Canonical) | CN1CCC2=CC(C3C(C21)(C4=CC5=C(C=C4C(=O)O3)OCO5)O)O |
| SMILES (Isomeric) | CN1CCC2=CC(C3C(C21)(C4=CC5=C(C=C4C(=O)O3)OCO5)O)O |
| InChI | InChI=1S/C17H17NO6/c1-18-3-2-8-4-11(19)15-17(21,14(8)18)10-6-13-12(22-7-23-13)5-9(10)16(20)24-15/h4-6,11,14-15,19,21H,2-3,7H2,1H3 |
| InChI Key | SFXPHQQLLAZNSN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H17NO6 |
| Molecular Weight | 331.32 g/mol |
| Exact Mass | 331.10558726 g/mol |
| Topological Polar Surface Area (TPSA) | 88.50 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of 2,9-Dihydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/0a675280-85a4-11ee-af0e-e77ed297e19d.jpg "2D Structure of 2,9-Dihydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(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 | 98.90% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.47% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.75% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.49% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.42% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.05% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.82% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.76% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.16% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.82% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.95% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.77% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.99% | 86.33% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.26% | 82.38% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.79% | 96.76% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.89% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.62% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.51% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.93% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.84% | 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.
| Pancratium canariense |
| PubChem | 74429303 |
| LOTUS | LTS0063945 |
| wikiData | Q105252126 |