securinega amamine D
| Internal ID | 70a594b1-5269-46aa-88e4-8b1199d20394 |
| Taxonomy | Organoheterocyclic compounds > Oxazinanes > 1,2-oxazinanes |
| IUPAC Name | (1S,2S,4S,9S)-4-methoxy-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-one |
| SMILES (Canonical) | COC1CCN2C(C1)C34CC(O2)C=CC3=CC(=O)O4 |
| SMILES (Isomeric) | CO[C@H]1CCN2[C@@H](C1)[C@]34C[C@H](O2)C=CC3=CC(=O)O4 |
| InChI | InChI=1S/C14H17NO4/c1-17-10-4-5-15-12(7-10)14-8-11(19-15)3-2-9(14)6-13(16)18-14/h2-3,6,10-12H,4-5,7-8H2,1H3/t10-,11+,12-,14-/m0/s1 |
| InChI Key | RYGVDBGZIQLYCQ-OPDFLTKYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C14H17NO4 |
| Molecular Weight | 263.29 g/mol |
| Exact Mass | 263.11575802 g/mol |
| Topological Polar Surface Area (TPSA) | 48.00 Ų |
| XlogP | 0.70 |
| CHEMBL250641 |
| (1S,2S,4S,9S)-4-Methoxy-8,15-dioxa-7-azatetracyclo[7.6.1.01,12.02,7]hexadeca-10,12-dien-14-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.60% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.58% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.70% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.59% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 91.24% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.82% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.55% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.46% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.47% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.75% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.28% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.22% | 94.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.12% | 93.04% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.53% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.15% | 92.94% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.58% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.46% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.26% | 90.00% |
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.
| Flueggea suffruticosa |
| PubChem | 24762835 |
| LOTUS | LTS0184743 |
| wikiData | Q105247555 |