Diasteltoxin A
| Internal ID | a4f2541f-f326-4c85-96e9-130fc9d2d561 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | (1S,6S,7R,8S)-7-[(1E,3E)-4-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]buta-1,3-dienyl]-1-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]hexa-1,3,5-trienyl]-5-methoxy-8-(4-methoxy-3-methyl-6-oxopyran-2-yl)-6-methyl-2-oxabicyclo[4.2.0]oct-4-en-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C46H60O14/c1-11-30-44(7,51)42(5)37(49)27(55-39(42)57-30)20-15-13-14-18-22-46-35(36-25(3)29(53-9)23-33(47)59-36)26(41(46,4)32(54-10)24-34(48)60-46)19-16-17-21-28-38(50)43(6)40(56-28)58-31(12-2)45(43,8)52/h13-24,26-28,30-31,35,37-40,49-52H,11-12H2,1-10H3/b14-13+,19-16+,20-15+,21-17+,22-18+/t26-,27-,28-,30-,31-,35+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+/m1/s1 |
| InChI Key | GLGGKZWUHICGAB-CWSYIKMLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C46H60O14 |
| Molecular Weight | 837.00 g/mol |
| Exact Mass | 836.39830658 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 Ų |
| XlogP | 3.40 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.02% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 96.25% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.89% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.13% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.32% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.31% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.05% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.65% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 91.46% | 96.43% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.10% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.28% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.56% | 89.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.94% | 82.38% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.85% | 91.07% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.52% | 93.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.70% | 96.90% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.92% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.87% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.11% | 99.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.35% | 91.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.18% | 100.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.01% | 97.36% |
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 | 132523153 |
| LOTUS | LTS0142251 |
| wikiData | Q77498815 |