3,8-dihydroxy-9-[4-hydroxy-6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]-5-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
| Internal ID | 3b479760-3a76-4957-8dca-e1da414daca5 |
| Taxonomy | Phenylpropanoids and polyketides > Angucyclines |
| IUPAC Name | 3,8-dihydroxy-9-[4-hydroxy-6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]-5-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C38H42O13/c1-16-23(39)8-10-29(48-16)50-26-9-11-30(49-17(26)2)51-37-18(3)47-28(13-24(37)40)19-6-7-20-33(34(19)42)36(44)21-12-27(46-5)22-14-38(4,45)15-25(41)31(22)32(21)35(20)43/h6-8,10,12,16-18,24,26,28-30,37,40,42,45H,9,11,13-15H2,1-5H3 |
| InChI Key | RJSDJAHVRVFSLU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H42O13 |
| Molecular Weight | 706.70 g/mol |
| Exact Mass | 706.26254139 g/mol |
| Topological Polar Surface Area (TPSA) | 184.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of 3,8-dihydroxy-9-[4-hydroxy-6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]-5-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione](https://plantaedb.com/storage/docs/compounds/2023/11/b2350ec0-8748-11ee-94cd-b7967f985dc1.jpg "2D Structure of 3,8-dihydroxy-9-[4-hydroxy-6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]-5-methoxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.80% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.44% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.61% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.48% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.73% | 91.49% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.72% | 96.38% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.43% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.20% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.93% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 94.85% | 89.76% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 94.70% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.59% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.12% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.31% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.28% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.10% | 97.14% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 91.40% | 97.05% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.08% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.94% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.59% | 95.93% |
| CHEMBL1871 | P10275 | Androgen Receptor | 88.99% | 96.43% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.54% | 94.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 88.28% | 97.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.11% | 91.07% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 87.05% | 96.67% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.41% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.12% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.08% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.31% | 93.04% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.10% | 91.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.01% | 82.67% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 83.34% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.70% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.50% | 90.71% |
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 | 75985291 |
| LOTUS | LTS0196555 |
| wikiData | Q104196672 |