6-Deoxy-D-788-7
| Internal ID | ae8162d6-42c0-4a0a-be9b-0ea270df07c9 |
| Taxonomy | Phenylpropanoids and polyketides > Anthracyclines |
| IUPAC Name | (7S,9R,10R)-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-ethyl-4,9,10,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione |
| SMILES (Canonical) | CCC1(CC(C2=CC3=C(C(=C2C1O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)OC5CC(C(C(O5)C)O)N)O |
| SMILES (Isomeric) | CC[C@]1(C[C@@H](C2=CC3=C(C(=C2[C@H]1O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)OC5CC(C(C(O5)C)O)N)O |
| InChI | InChI=1S/C26H29NO9/c1-3-26(34)9-16(36-17-8-14(27)21(29)10(2)35-17)12-7-13-19(24(32)20(12)25(26)33)22(30)11-5-4-6-15(28)18(11)23(13)31/h4-7,10,14,16-17,21,25,28-29,32-34H,3,8-9,27H2,1-2H3/t10?,14?,16-,17?,21?,25+,26+/m0/s1 |
| InChI Key | RPVGYGYVQLRIFA-DTBSIDFFSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H29NO9 |
| Molecular Weight | 499.50 g/mol |
| Exact Mass | 499.18423150 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 1.40 |
| 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 | 99.31% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 98.93% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.64% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 98.61% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.97% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.84% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.57% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.42% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.17% | 96.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.98% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.81% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.75% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.63% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.62% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.59% | 94.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.18% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.68% | 100.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.94% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.81% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.31% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.27% | 94.73% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.79% | 92.88% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.59% | 90.24% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.73% | 96.95% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.19% | 96.67% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.11% | 96.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139587170 |
| LOTUS | LTS0216199 |
| wikiData | Q77559530 |