(2S)-2,4,6,9-tetrahydroxy-7-methyl-2-(2-oxopropyl)phenalene-1,3-dione
| Internal ID | 8b8bce09-a234-4088-a62a-2eadc63c81aa |
| Taxonomy | Benzenoids > Phenalanes |
| IUPAC Name | (2S)-2,4,6,9-tetrahydroxy-7-methyl-2-(2-oxopropyl)phenalene-1,3-dione |
| SMILES (Canonical) | CC1=CC(=C2C3=C1C(=CC(=C3C(=O)C(C2=O)(CC(=O)C)O)O)O)O |
| SMILES (Isomeric) | CC1=CC(=C2C3=C1C(=CC(=C3C(=O)[C@@](C2=O)(CC(=O)C)O)O)O)O |
| InChI | InChI=1S/C17H14O7/c1-6-3-8(19)12-14-11(6)9(20)4-10(21)13(14)16(23)17(24,15(12)22)5-7(2)18/h3-4,19-21,24H,5H2,1-2H3/t17-/m0/s1 |
| InChI Key | TZARUQGWUTUJCN-KRWDZBQOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O7 |
| Molecular Weight | 330.29 g/mol |
| Exact Mass | 330.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 2.50 |
| 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 | 98.47% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.37% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.42% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.85% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.59% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.31% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.69% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.97% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.53% | 86.33% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.84% | 93.65% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.68% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.27% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.07% | 96.95% |
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.
| Aegiceras corniculatum |
| PubChem | 162902602 |
| LOTUS | LTS0147238 |
| wikiData | Q105267865 |