Monacyclinone C
| Internal ID | cd914f78-aa89-416b-be0b-8bc3fbe134ae |
| Taxonomy | Phenylpropanoids and polyketides > Angucyclines |
| IUPAC Name | (3R)-9-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-3,6,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione |
| SMILES (Canonical) | CC1C(CCC(O1)C2=C(C3=C(C=C2)C(=O)C4=C5C(=CC(=C4C3=O)O)CC(CC5=O)(C)O)O)N(C)C |
| SMILES (Isomeric) | C[C@H]1[C@H](CC[C@@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C5C(=CC(=C4C3=O)O)C[C@@](CC5=O)(C)O)O)N(C)C |
| InChI | InChI=1S/C27H29NO7/c1-12-16(28(3)4)7-8-19(35-12)14-5-6-15-21(24(14)31)26(33)22-17(29)9-13-10-27(2,34)11-18(30)20(13)23(22)25(15)32/h5-6,9,12,16,19,29,31,34H,7-8,10-11H2,1-4H3/t12-,16-,19+,27+/m0/s1 |
| InChI Key | VIDCXRXOWFCBBI-FSSRXIQXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H29NO7 |
| Molecular Weight | 479.50 g/mol |
| Exact Mass | 479.19440226 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 2.70 |
| (3R)-9-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-3,6,8-trihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione |
| (3R)-9-((2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl)-3,6,8-trihydroxy-3-methyl-2,4-dihydrobenzo(a)anthracene-1,7,12-trione |
| RefChem:159425 |
| CHEBI:213482 |
| 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 | 99.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.61% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 96.94% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.68% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.73% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.04% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.05% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.81% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.22% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 90.89% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.91% | 99.23% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.65% | 85.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.75% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.48% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.44% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.25% | 86.33% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 84.34% | 96.67% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.73% | 97.33% |
| CHEMBL2708 | Q16584 | Mitogen-activated protein kinase kinase kinase 11 | 83.11% | 81.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.98% | 93.99% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.61% | 95.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.09% | 90.71% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.60% | 95.62% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.40% | 92.88% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.29% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.50% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.27% | 95.89% |
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 | 139587199 |
| LOTUS | LTS0010691 |
| wikiData | Q77560304 |