(1S,12S,14R)-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-9,14-diol
| Internal ID | 576cf139-08d8-4c15-9922-20a8136ee8a3 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Galanthamine-type amaryllidaceae alkaloids |
| IUPAC Name | (1S,12S,14R)-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-9,14-diol |
| SMILES (Canonical) | C[N+]1(CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)O)O)[O-] |
| SMILES (Isomeric) | C[N+]1(CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)O)O)[O-] |
| InChI | InChI=1S/C16H19NO4/c1-17(20)7-6-16-5-4-11(18)8-13(16)21-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13-,16-,17?/m0/s1 |
| InChI Key | CJMDWDVSGREFDX-NBQOVFFBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H19NO4 |
| Molecular Weight | 289.33 g/mol |
| Exact Mass | 289.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 67.80 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of (1S,12S,14R)-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-9,14-diol](https://plantaedb.com/storage/docs/compounds/2023/11/09d21290-8609-11ee-a52d-e15a360143e5.jpg "2D Structure of (1S,12S,14R)-4-methyl-4-oxido-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-9,14-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.01% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.71% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.32% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.03% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.76% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.43% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.11% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.31% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.92% | 96.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.60% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.12% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.29% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.03% | 86.33% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.84% | 91.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.50% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.05% | 100.00% |
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.
| Lycoris sanguinea |
| PubChem | 14803829 |
| LOTUS | LTS0081137 |
| wikiData | Q104961367 |