[(3R,4S,5S,6S)-4,5-dihydroxy-6-[(9R)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-3-yl] benzoate
| Internal ID | 3e0dda4b-e2d0-43f9-b897-f6132ef679bb |
| Taxonomy | Benzenoids > Anthracenes |
| IUPAC Name | [(3R,4S,5S,6S)-4,5-dihydroxy-6-[(9R)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-3-yl] benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H24O9/c1-13-10-16-21(18(29)11-13)23(31)20-15(8-5-9-17(20)28)27(16,34)25-24(32)22(30)19(12-35-25)36-26(33)14-6-3-2-4-7-14/h2-11,19,22,24-25,28-30,32,34H,12H2,1H3/t19-,22-,24+,25+,27-/m1/s1 |
| InChI Key | HESXYYVNWWHMEB-ZZQHRCADSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H24O9 |
| Molecular Weight | 492.50 g/mol |
| Exact Mass | 492.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of [(3R,4S,5S,6S)-4,5-dihydroxy-6-[(9R)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-3-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/c0c729a0-82aa-11ee-a8b6-cf02abdbf2ea.jpg "2D Structure of [(3R,4S,5S,6S)-4,5-dihydroxy-6-[(9R)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-3-yl] benzoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.69% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.49% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 96.37% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.18% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.96% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.15% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.21% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.43% | 93.03% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.11% | 91.49% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.72% | 91.19% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.20% | 92.98% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.70% | 83.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.67% | 97.50% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 84.45% | 92.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.13% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.55% | 94.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 81.72% | 100.00% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.41% | 97.53% |
| CHEMBL240 | Q12809 | HERG | 81.31% | 89.76% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.24% | 96.38% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.16% | 93.99% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.72% | 96.67% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.40% | 94.08% |
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.
| Picramnia latifolia |
| PubChem | 11306430 |
| LOTUS | LTS0085107 |
| wikiData | Q105027024 |