methyl 2-[10-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]-2-hydroxy-2-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]acetate
| Internal ID | 240006ca-3d0e-469f-891b-073af5dc9971 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones > Naphthopyranone glycosides |
| IUPAC Name | methyl 2-[10-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]-2-hydroxy-2-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H59NO17/c1-19-37(50)28(57-9)16-32(61-19)47(56,44(55)59-11)26-14-25-35(42-36(26)27(49)15-31(63-42)46(6)22(4)65-46)41(54)34-24(39(25)52)13-12-23(40(34)53)30-18-45(5,48(7)8)43(21(3)60-30)64-33-17-29(58-10)38(51)20(2)62-33/h12-15,19-22,28-30,32-33,37-38,43,50-51,53,56H,16-18H2,1-11H3/t19-,20-,21+,22?,28+,29+,30-,32+,33-,37-,38-,43-,45+,46?,47?/m1/s1 |
| InChI Key | CSPDCSMLEJFUJJ-UBLQSTDESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C47H59NO17 |
| Molecular Weight | 910.00 g/mol |
| Exact Mass | 909.37829941 g/mol |
| Topological Polar Surface Area (TPSA) | 239.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of methyl 2-[10-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]-2-hydroxy-2-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]acetate](https://plantaedb.com/storage/docs/compounds/2023/11/73689b40-8550-11ee-9567-b3a7a6c8274b.jpg "2D Structure of methyl 2-[10-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]-2-hydroxy-2-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]acetate")
| 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 | 99.77% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.20% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.11% | 98.95% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 97.80% | 95.64% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 93.30% | 97.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 93.19% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.79% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.52% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 92.32% | 97.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.06% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.00% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.57% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.53% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.49% | 94.73% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.82% | 96.38% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 89.18% | 85.11% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.77% | 91.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.63% | 96.77% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.62% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.34% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.03% | 100.00% |
| CHEMBL240 | Q12809 | HERG | 86.45% | 89.76% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.25% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.01% | 98.75% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.66% | 96.67% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 84.39% | 92.88% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 83.90% | 90.48% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.07% | 91.07% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.00% | 93.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.45% | 85.14% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.08% | 96.90% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.84% | 99.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.15% | 95.93% |
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 | 101671036 |
| LOTUS | LTS0078413 |
| wikiData | Q104969482 |