Trichione
| Internal ID | 332ff4c5-3cea-4eef-a7ad-dbe5b1fd5b4e |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 3-[(E)-4-(1,8-dihydroxy-3,4-dioxonaphthalen-2-yl)but-3-enoxy]-3-oxopropanoic acid |
| SMILES (Canonical) | C1=CC2=C(C(=C1)O)C(=C(C(=O)C2=O)C=CCCOC(=O)CC(=O)O)O |
| SMILES (Isomeric) | C1=CC2=C(C(=C1)O)C(=C(C(=O)C2=O)/C=C/CCOC(=O)CC(=O)O)O |
| InChI | InChI=1S/C17H14O8/c18-11-6-3-5-9-14(11)15(22)10(17(24)16(9)23)4-1-2-7-25-13(21)8-12(19)20/h1,3-6,18,22H,2,7-8H2,(H,19,20)/b4-1+ |
| InChI Key | FWFSNBVRUVMUSO-DAFODLJHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H14O8 |
| Molecular Weight | 346.30 g/mol |
| Exact Mass | 346.06886740 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 1.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.54% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.34% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.48% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.47% | 93.03% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.96% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.96% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.67% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.89% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.31% | 94.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.43% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.78% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.59% | 99.23% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.15% | 80.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.21% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.80% | 94.73% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.05% | 96.38% |
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 | 14374811 |
| LOTUS | LTS0218770 |
| wikiData | Q105274837 |