(2S)-2,4,6,9-tetrahydroxy-5-methoxy-7-methyl-2-(2-methyl-3-oxobutan-2-yl)phenalene-1,3-dione
| Internal ID | cfe2023d-913f-45d4-987a-8dd620c64300 |
| Taxonomy | Benzenoids > Phenalanes |
| IUPAC Name | (2S)-2,4,6,9-tetrahydroxy-5-methoxy-7-methyl-2-(2-methyl-3-oxobutan-2-yl)phenalene-1,3-dione |
| SMILES (Canonical) | CC1=CC(=C2C3=C1C(=C(C(=C3C(=O)C(C2=O)(C(C)(C)C(=O)C)O)O)OC)O)O |
| SMILES (Isomeric) | CC1=CC(=C2C3=C1C(=C(C(=C3C(=O)[C@@](C2=O)(C(C)(C)C(=O)C)O)O)OC)O)O |
| InChI | InChI=1S/C20H20O8/c1-7-6-9(22)11-12-10(7)14(23)16(28-5)15(24)13(12)18(26)20(27,17(11)25)19(3,4)8(2)21/h6,22-24,27H,1-5H3/t20-/m0/s1 |
| InChI Key | ONTLROIXJXOWRQ-FQEVSTJZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H20O8 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 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 | 99.35% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.90% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.78% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.74% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.41% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.99% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.77% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.64% | 91.07% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.76% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.98% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.49% | 86.33% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 85.04% | 90.93% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 84.87% | 92.68% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.82% | 93.65% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.49% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.43% | 90.00% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 83.42% | 94.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.27% | 99.23% |
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 | 101019049 |
| LOTUS | LTS0077809 |
| wikiData | Q76809367 |