3-methyl xanthopurpurin 6-O-methyl ether 8-O-beta-D-gentiobioside
| Internal ID | aa45ed4a-f5e1-4dc6-95d3-d2f71ee9193b |
| Taxonomy | Benzenoids > Anthracenes > Anthraquinones |
| IUPAC Name | 3-methoxy-6-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H32O14/c1-10-3-4-12-13(5-10)19(30)14-6-11(38-2)7-15(18(14)20(12)31)40-28-26(37)24(35)22(33)17(42-28)9-39-27-25(36)23(34)21(32)16(8-29)41-27/h3-7,16-17,21-29,32-37H,8-9H2,1-2H3/t16-,17-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1 |
| InChI Key | BYQBIXFFVFHQMA-ULFSRCLISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H32O14 |
| Molecular Weight | 592.50 g/mol |
| Exact Mass | 592.17920569 g/mol |
| Topological Polar Surface Area (TPSA) | 222.00 Ų |
| XlogP | -1.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.76% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.07% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.15% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.85% | 96.09% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 93.49% | 93.18% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.27% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.93% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.67% | 96.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.64% | 95.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.45% | 94.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.29% | 96.21% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.97% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.72% | 95.89% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 84.30% | 93.31% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.60% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.32% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.02% | 99.17% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.48% | 96.09% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.23% | 97.36% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.06% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.00% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.55% | 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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139583090 |
| LOTUS | LTS0071024 |
| wikiData | Q77138843 |