(3S)-8-[(6-Deoxy-|A-L-mannopyranosyl)oxy]-3,4-dihydro-3-methylbenz[a]anthracene-1,7,12(2H)-trione
| Internal ID | 3add85d0-db77-47b0-8ee9-bc557b6445cc |
| Taxonomy | Phenylpropanoids and polyketides > Angucyclines |
| IUPAC Name | (3S)-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H24O8/c1-10-8-12-6-7-14-19(17(12)15(26)9-10)22(29)13-4-3-5-16(18(13)21(14)28)33-25-24(31)23(30)20(27)11(2)32-25/h3-7,10-11,20,23-25,27,30-31H,8-9H2,1-2H3/t10-,11-,20-,23+,24+,25-/m0/s1 |
| InChI Key | MOHALZUCHLKMFC-FGEMJCSKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H24O8 |
| Molecular Weight | 452.50 g/mol |
| Exact Mass | 452.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 1.70 |
| 137109-49-0 |
| (3S)-3-methyl-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione |
| DTXSID50929717 |
| 3-Methyl-1,7,12-trioxo-1,2,3,4,7,12-hexahydrotetraphen-8-yl 6-deoxyhexopyranoside |
| (3S)-8-[(6-Deoxy-|A-L-mannopyranosyl)oxy]-3,4-dihydro-3-methylbenz[a]anthracene-1,7,12(2H)-trione |
| Benz(a)anthracene-1,7,12(2H)-trione, 8-((6-deoxy-alpha-L-mannopyranosyl)oxy)-3,4-dihydro-3-methyl-, (S)- |
![2D Structure of (3S)-8-[(6-Deoxy-|A-L-mannopyranosyl)oxy]-3,4-dihydro-3-methylbenz[a]anthracene-1,7,12(2H)-trione](https://plantaedb.com/storage/docs/compounds/2023/11/atramycin-b.jpg "2D Structure of (3S)-8-[(6-Deoxy-|A-L-mannopyranosyl)oxy]-3,4-dihydro-3-methylbenz[a]anthracene-1,7,12(2H)-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.57% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.79% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.85% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.84% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.67% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.48% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.87% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.80% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.78% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.95% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.33% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.97% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.09% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.11% | 97.14% |
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 | 132030 |
| LOTUS | LTS0094966 |
| wikiData | Q82904789 |