Furanodictine B
| Internal ID | 63db15af-8f20-4268-8b11-b2fa892ebfa0 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | [(3R,3aS,6S,6aR)-6-acetamido-5-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 3-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H21NO6/c1-6(2)4-9(16)19-8-5-18-12-10(14-7(3)15)13(17)20-11(8)12/h6,8,10-13,17H,4-5H2,1-3H3,(H,14,15)/t8-,10+,11-,12-,13?/m1/s1 |
| InChI Key | XACKKSAZFKSCJT-FZKCVIRVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H21NO6 |
| Molecular Weight | 287.31 g/mol |
| Exact Mass | 287.13688739 g/mol |
| Topological Polar Surface Area (TPSA) | 94.10 Ų |
| XlogP | -0.30 |
| [(3R,3aS,6S,6aR)-6-acetamido-5-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 3-methylbutanoate |
| 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 |
|---|---|---|---|---|
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 96.99% | 97.21% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.98% | 83.82% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.38% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.22% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.46% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.69% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.04% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.83% | 90.71% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 86.76% | 82.50% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.53% | 96.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.22% | 94.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.06% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.35% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.09% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.04% | 94.45% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.52% | 94.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.71% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.31% | 85.14% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.63% | 95.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.78% | 90.17% |
| CHEMBL3776 | Q14790 | Caspase-8 | 80.52% | 97.06% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.43% | 89.50% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.10% | 95.71% |
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.
| There are no matching plants. |
| PubChem | 11289182 |
| LOTUS | LTS0198955 |
| wikiData | Q77504332 |