Paratunamide D (not validated)
| Internal ID | c9acd981-f383-4a5c-a915-92e2566ee1ec |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | 4-ethenyl-6-hydroxy-7-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)ethyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyridin-8-one |
| SMILES (Canonical) | C=CC1C2CC(N(C(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O)CCC4(C5=CC=CC=C5NC4=O)O)O |
| SMILES (Isomeric) | C=CC1C2CC(N(C(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O)CCC4(C5=CC=CC=C5NC4=O)O)O |
| InChI | InChI=1S/C26H32N2O11/c1-2-12-13-9-18(30)28(8-7-26(36)15-5-3-4-6-16(15)27-25(26)35)22(34)14(13)11-37-23(12)39-24-21(33)20(32)19(31)17(10-29)38-24/h2-6,11-13,17-21,23-24,29-33,36H,1,7-10H2,(H,27,35) |
| InChI Key | QPIBCHJEPFSMPX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H32N2O11 |
| Molecular Weight | 548.50 g/mol |
| Exact Mass | 548.20060984 g/mol |
| Topological Polar Surface Area (TPSA) | 199.00 Ų |
| XlogP | -1.70 |
| There are no found synonyms. |
| 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 | 98.08% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.03% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.04% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.35% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.64% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.68% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.46% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.43% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.31% | 89.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 86.00% | 94.45% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 84.68% | 95.83% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.20% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.15% | 95.93% |
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.
| Cinnamodendron axillare |
| PubChem | 73240856 |
| LOTUS | LTS0089281 |
| wikiData | Q105225404 |