Aranciamycin anhydride
| Internal ID | 536ece94-e74b-4157-8eb4-225892d5ead1 |
| Taxonomy | Benzenoids > Naphthacenes > Tetracenequinones |
| IUPAC Name | [(3R,4R,6S)-4-hydroxy-5-methoxy-2-methyl-6-[[(1R,2S,3S)-3,10,12-trihydroxy-2-methoxy-3-methyl-4,6,11-trioxo-1,2-dihydrotetracen-1-yl]oxymethyl]oxan-3-yl] 3-(4-methyl-2,5-dioxofuran-3-yl)propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H36O16/c1-13-15(35(45)52-34(13)44)9-10-21(38)51-29-14(2)50-20(30(47-4)28(29)42)12-49-31-24-18(32(43)36(3,46)33(31)48-5)11-17-23(27(24)41)26(40)22-16(25(17)39)7-6-8-19(22)37/h6-8,11,14,20,28-31,33,37,41-42,46H,9-10,12H2,1-5H3/t14?,20-,28-,29-,30?,31+,33-,36+/m0/s1 |
| InChI Key | QQINRESABYUJSC-RSAYQWSXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H36O16 |
| Molecular Weight | 724.70 g/mol |
| Exact Mass | 724.20033506 g/mol |
| Topological Polar Surface Area (TPSA) | 239.00 Ų |
| XlogP | 1.00 |
| 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 | 99.06% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.97% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 98.57% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.67% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 96.54% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.13% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.82% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.11% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.22% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.20% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.97% | 94.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.56% | 95.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.62% | 99.15% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.69% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.96% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.42% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.27% | 95.89% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.78% | 95.93% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.24% | 86.92% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.46% | 96.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.02% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.84% | 97.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.30% | 82.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.81% | 96.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.28% | 98.75% |
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 | 139583109 |
| LOTUS | LTS0080757 |
| wikiData | Q75052909 |