16-Ethenyl-4-hydroxy-5-methoxy-15-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one
| Internal ID | 1e7983c4-2fcf-47af-a291-1220e101cf1f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Monosaccharides > Hexoses |
| IUPAC Name | 16-ethenyl-4-hydroxy-5-methoxy-15-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-17(28)18(33-2)6-11(13)4-5-26(16)23(31)15(14)10-34-25(12)36-22-21(30)20(29)19(9-27)35-24(22)32/h3,6,8,10,12,14,16,19-22,24-25,27-30,32H,1,4-5,7,9H2,2H3 |
| InChI Key | SXPMQYHENXDEBF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H31NO10 |
| Molecular Weight | 505.50 g/mol |
| Exact Mass | 505.19479619 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 16-Ethenyl-4-hydroxy-5-methoxy-15-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/7b2ed0c0-8488-11ee-afe2-ed857a5462b6.jpg "2D Structure of 16-Ethenyl-4-hydroxy-5-methoxy-15-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-14-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,12-tetraen-11-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.09% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.65% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.92% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.38% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.04% | 95.56% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.02% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.78% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.69% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.01% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.43% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.89% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.09% | 92.94% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 86.32% | 97.05% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.93% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.48% | 97.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.44% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.12% | 90.24% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.63% | 95.83% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.14% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.60% | 97.09% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.80% | 91.96% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.50% | 94.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.50% | 91.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.33% | 90.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.15% | 91.49% |
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.
| Alangium grisolleoides |
| PubChem | 73072709 |
| LOTUS | LTS0213593 |
| wikiData | Q105263264 |