8-[5-[4-[5-[5-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-1,6-dihydroxy-3-methyl-5,6-dihydrobenzo[a]anthracene-7,12-dione
| Internal ID | 08ed6806-987a-47cf-a0fa-ce305df6104e |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 8-[5-[4-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-1,6-dihydroxy-3-methyl-5,6-dihydrobenzo[a]anthracene-7,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C49H64O19/c1-19-12-25-14-28(51)42-43(40(25)27(50)13-19)46(57)26-8-7-9-33(41(26)47(42)58)65-37-17-31(54)49(24(6)63-37)68-39-18-34(45(56)22(4)61-39)66-35-11-10-32(20(2)59-35)64-36-16-30(53)48(23(5)62-36)67-38-15-29(52)44(55)21(3)60-38/h7-9,12-13,20-24,28-32,34-39,44-45,48-56H,10-11,14-18H2,1-6H3 |
| InChI Key | KTUOLVACVREQCD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C49H64O19 |
| Molecular Weight | 957.00 g/mol |
| Exact Mass | 956.40417981 g/mol |
| Topological Polar Surface Area (TPSA) | 268.00 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 8-[5-[4-[5-[5-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-1,6-dihydroxy-3-methyl-5,6-dihydrobenzo[a]anthracene-7,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/45e85970-8324-11ee-b794-dbd521b2b58b.jpg "2D Structure of 8-[5-[4-[5-[5-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-1,6-dihydroxy-3-methyl-5,6-dihydrobenzo[a]anthracene-7,12-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.77% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.07% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.02% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.78% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 96.61% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.97% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.81% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.07% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.72% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.66% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.42% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.88% | 97.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.53% | 94.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 90.28% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.22% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.17% | 96.09% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 87.95% | 83.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.45% | 93.03% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.16% | 95.93% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.68% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.65% | 96.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.05% | 98.75% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 85.93% | 97.33% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 85.88% | 94.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.74% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.29% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.30% | 92.94% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.40% | 96.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.26% | 85.14% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.11% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.03% | 91.19% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.83% | 91.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.67% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.39% | 97.21% |
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 | 75597523 |
| LOTUS | LTS0096052 |
| wikiData | Q104170596 |