[(2S,3R,4R,5R,6R)-2-[(9S)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,5,6-trihydroxyoxan-4-yl] 3-methylbut-2-enoate
| Internal ID | ac445f7f-022b-40a0-8340-6cee306444ac |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | [(2S,3R,4R,5R,6R)-2-[(9S)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,5,6-trihydroxyoxan-4-yl] 3-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H26O9/c1-10(2)7-16(28)33-24-21(30)23(34-25(32)22(24)31)17-12-5-4-6-14(26)18(12)20(29)19-13(17)8-11(3)9-15(19)27/h4-9,17,21-27,30-32H,1-3H3/t17-,21+,22+,23-,24+,25+/m0/s1 |
| InChI Key | XVEVCPOACUOIOH-BVLUCXKNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H26O9 |
| Molecular Weight | 470.50 g/mol |
| Exact Mass | 470.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of [(2S,3R,4R,5R,6R)-2-[(9S)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,5,6-trihydroxyoxan-4-yl] 3-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/8fd1a570-85dd-11ee-b302-d5ee4864c06e.jpg "2D Structure of [(2S,3R,4R,5R,6R)-2-[(9S)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,5,6-trihydroxyoxan-4-yl] 3-methylbut-2-enoate")
| 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 | 98.74% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.54% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.29% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.24% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.01% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.78% | 91.49% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.15% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.01% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.91% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.03% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.63% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.98% | 94.80% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 86.53% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.81% | 91.19% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 84.92% | 97.53% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.47% | 97.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.74% | 99.15% |
| CHEMBL5028 | O14672 | ADAM10 | 81.51% | 97.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.99% | 94.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.58% | 90.93% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.40% | 96.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.12% | 93.03% |
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.
| Alvaradoa haitiensis |
| PubChem | 162945117 |
| LOTUS | LTS0238613 |
| wikiData | Q105342830 |