(1R,18S,19R,20S)-19-ethenyl-7,18-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15-pentaen-14-one
| Internal ID | e4dd33f3-c9aa-4288-b6e0-9e08bebe7090 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | (1R,18S,19R,20S)-19-ethenyl-7,18-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15-pentaen-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H40N2O14/c1-2-13-15-8-19-22-14(16-7-12(3-4-18(16)33-22)45-31-27(41)25(39)23(37)20(9-35)46-31)5-6-34(19)29(43)17(15)11-44-30(13)48-32-28(42)26(40)24(38)21(10-36)47-32/h2-4,7,11,13,15,19-21,23-28,30-33,35-42H,1,5-6,8-10H2/t13-,15+,19-,20-,21-,23-,24-,25+,26+,27-,28-,30+,31-,32+/m1/s1 |
| InChI Key | GSQQNRFSMXHOOX-RYPRAARKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H40N2O14 |
| Molecular Weight | 676.70 g/mol |
| Exact Mass | 676.24795395 g/mol |
| Topological Polar Surface Area (TPSA) | 244.00 Ų |
| XlogP | -1.70 |
| There are no found synonyms. |
![2D Structure of (1R,18S,19R,20S)-19-ethenyl-7,18-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15-pentaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/4b3b2bb0-85fb-11ee-a645-211e80a9c370.jpg "2D Structure of (1R,18S,19R,20S)-19-ethenyl-7,18-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4(9),5,7,15-pentaen-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.46% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.36% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.19% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.15% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.61% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 96.47% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.76% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.01% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.31% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.67% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.58% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.26% | 92.94% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 88.81% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.02% | 90.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.56% | 98.59% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.94% | 91.71% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.87% | 95.83% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.72% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.66% | 94.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.53% | 96.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.86% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.85% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.77% | 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.
| Adina eurhyncha |
| PubChem | 102276047 |
| LOTUS | LTS0088621 |
| wikiData | Q105017600 |