Kirschsteinin
| Internal ID | 4e716860-3f49-47fb-ac18-d882192d082a |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 6-acetyl-4,5,7-trihydroxy-3-[1-(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)ethyl]naphthalene-1,2-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H20O11/c1-8(16-14(36-3)6-11-19(23(16)32)13(29)7-15(37-4)21(11)30)17-24(33)20-10(22(31)26(17)35)5-12(28)18(9(2)27)25(20)34/h5-8,28,32-34H,1-4H3 |
| InChI Key | BWEOLULKGWVMIT-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C26H20O11 |
| Molecular Weight | 508.40 g/mol |
| Exact Mass | 508.10056145 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | 3.10 |
| CHEMBL477750 |
| 6-acetyl-2,5,7-trihydroxy-3-[1-(1-hydroxy-3,6-dimethoxy-5,8-dioxo-2-naphthyl)ethyl]naphthalene-1,4-dione |
| 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% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.92% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.54% | 89.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.73% | 90.20% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.89% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.81% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.41% | 98.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.79% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.75% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.74% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.71% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.14% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.94% | 94.45% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.68% | 96.67% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.13% | 96.90% |
| CHEMBL3194 | P02766 | Transthyretin | 80.56% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.49% | 99.15% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.39% | 91.07% |
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 | 44584650 |
| LOTUS | LTS0196335 |
| wikiData | Q104401956 |