Monacyclinone B
| Internal ID | 0262fe00-b145-40c2-a2e9-01daa26fe539 |
| Taxonomy | Phenylpropanoids and polyketides > Angucyclines |
| IUPAC Name | 9-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-1,5,8-trihydroxy-3-methylbenzo[a]anthracene-7,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H27NO6/c1-12-9-16-19(29)11-17-23(22(16)20(30)10-12)26(32)15-6-5-14(25(31)24(15)27(17)33)21-8-7-18(28(3)4)13(2)34-21/h5-6,9-11,13,18,21,29-31H,7-8H2,1-4H3/t13-,18-,21+/m0/s1 |
| InChI Key | LCNXLRHNCJLJRN-LTBCBRHQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C27H27NO6 |
| Molecular Weight | 461.50 g/mol |
| Exact Mass | 461.18383758 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 4.70 |
| 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 | 99.45% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.96% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.54% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.42% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 95.59% | 96.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.18% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.43% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.50% | 95.89% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.54% | 95.64% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.44% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.43% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.42% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.65% | 94.73% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.29% | 96.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.51% | 94.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.03% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.29% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.26% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.00% | 93.03% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.11% | 92.94% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.08% | 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 | 139587334 |
| LOTUS | LTS0099087 |
| wikiData | Q77563540 |