Epicoccin F
| Internal ID | bc2df3da-604a-4669-9358-d95f3c5aa385 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | (1S,4R,5S,6S,8S,9S,11S,14R,15S,16S,19S)-5,8,15-trihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.16,11.01,13.03,11.04,9.014,19]tricosane-2,12,18-trione |
| SMILES (Canonical) | C1C(C2CC34C(=O)N5C6C7CC5(C(=O)N3C2C(C1S4)O)SSC(C6O)CC7=O)O |
| SMILES (Isomeric) | C1[C@@H]([C@H]2C[C@]34C(=O)N5[C@@H]6[C@@H]7C[C@@]5(C(=O)N3[C@H]2[C@@H]([C@H]1S4)O)SS[C@H]([C@H]6O)CC7=O)O |
| InChI | InChI=1S/C18H20N2O6S3/c21-7-1-9-13(23)11-5(7)3-17(27-9)15(25)20-12-6-4-18(20,16(26)19(11)17)29-28-10(14(12)24)2-8(6)22/h5-7,9-14,21,23-24H,1-4H2/t5-,6-,7+,9+,10+,11-,12-,13-,14-,17+,18+/m1/s1 |
| InChI Key | HDEHHRCCINCEED-MJXKWBMFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H20N2O6S3 |
| Molecular Weight | 456.60 g/mol |
| Exact Mass | 456.04834988 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | -1.60 |
| CHEBI:206356 |
| (1S,4R,5S,6S,8S,9S,11S,14R,15S,16S,19S)-5,8,15-trihydroxy-21,22,23-trithia-3,13-diazaheptacyclo[14.4.2.16,11.01,13.03,11.04,9.014,19]tricosane-2,12,18-trione |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.80% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.91% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.85% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.48% | 97.09% |
| CHEMBL238 | Q01959 | Dopamine transporter | 89.35% | 95.88% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 88.96% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.59% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.81% | 96.77% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 85.66% | 95.92% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 85.21% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.56% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.00% | 95.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.51% | 93.03% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.36% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.76% | 93.04% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.45% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.30% | 93.40% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.16% | 93.00% |
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.
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| There are no matching plants. |
| PubChem | 139586806 |
| LOTUS | LTS0132947 |
| wikiData | Q77514996 |