Vineomycin E
| Internal ID | ff5b7065-2da2-447b-a9c7-1b0af8f562a4 |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | (3R)-4-[1,5-dihydroxy-6-[(1R,3S,5S,6R,8S,10R,12R,14R)-6-hydroxy-5,14-dimethyl-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H34O12/c1-12-18(32)8-21-30(41-12)43-29-13(2)40-19(9-20(29)42-21)15-6-7-17-24(26(15)36)28(38)16-5-4-14(25(35)23(16)27(17)37)10-31(3,39)11-22(33)34/h4-7,12-13,18-21,29-30,32,35-36,39H,8-11H2,1-3H3,(H,33,34)/t12-,13+,18+,19+,20+,21-,29+,30-,31+/m0/s1 |
| InChI Key | HUYSFHCGVACKBI-FHDLZZSTSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C31H34O12 |
| Molecular Weight | 598.60 g/mol |
| Exact Mass | 598.20502652 g/mol |
| Topological Polar Surface Area (TPSA) | 189.00 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 | 99.61% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.20% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.79% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.49% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.77% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.74% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.32% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.26% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.52% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.97% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.95% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.10% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.56% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.22% | 95.89% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 82.30% | 85.31% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 82.13% | 81.29% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.21% | 99.15% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.89% | 97.33% |
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 | 146682934 |
| LOTUS | LTS0212054 |
| wikiData | Q105034136 |