5-[(4-Amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxymethyl]-2-(2,3-dihydroxybutan-2-yl)-10-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]-11-hydroxynaphtho[2,3-h]chromene-4,7,12-trione
| Internal ID | 98a0efe4-c1a8-48c1-ba4b-4aa117bc6b76 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones > Naphthopyranone glycosides |
| IUPAC Name | 5-[(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxymethyl]-2-(2,3-dihydroxybutan-2-yl)-10-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]-11-hydroxynaphtho[2,3-h]chromene-4,7,12-trione |
| SMILES (Canonical) | CC1C(C(CC(O1)OC2C(OC(CC2N(C)C)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C6=C(C(=C5)COC7CC(C(C(O7)C)O)(C)N)C(=O)C=C(O6)C(C)(C(C)O)O)O)C)O)O |
| SMILES (Isomeric) | CC1C(C(CC(O1)OC2C(OC(CC2N(C)C)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C6=C(C(=C5)COC7CC(C(C(O7)C)O)(C)N)C(=O)C=C(O6)C(C)(C(C)O)O)O)C)O)O |
| InChI | InChI=1S/C43H56N2O15/c1-17-35(49)27(48)14-30(57-17)60-39-18(2)56-28(12-25(39)45(7)8)22-9-10-23-33(37(22)51)38(52)34-24(36(23)50)11-21(16-55-31-15-42(5,44)41(53)19(3)58-31)32-26(47)13-29(59-40(32)34)43(6,54)20(4)46/h9-11,13,17-20,25,27-28,30-31,35,39,41,46,48-49,51,53-54H,12,14-16,44H2,1-8H3 |
| InChI Key | NXVFOCZKPDWDTH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C43H56N2O15 |
| Molecular Weight | 840.90 g/mol |
| Exact Mass | 840.36806908 g/mol |
| Topological Polar Surface Area (TPSA) | 257.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of 5-[(4-Amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxymethyl]-2-(2,3-dihydroxybutan-2-yl)-10-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]-11-hydroxynaphtho[2,3-h]chromene-4,7,12-trione](https://plantaedb.com/storage/docs/compounds/2023/11/41461ed0-854c-11ee-8001-dbce0ba6d8af.jpg "2D Structure of 5-[(4-Amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxymethyl]-2-(2,3-dihydroxybutan-2-yl)-10-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(dimethylamino)-6-methyloxan-2-yl]-11-hydroxynaphtho[2,3-h]chromene-4,7,12-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 | 99.93% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.68% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.90% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.73% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.39% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.62% | 96.09% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 95.44% | 95.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 95.07% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 94.75% | 96.21% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.34% | 97.25% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 94.19% | 97.33% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 93.63% | 85.31% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.27% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.00% | 96.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.73% | 86.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 92.72% | 92.88% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 92.37% | 95.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.30% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.94% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.78% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.79% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.49% | 94.73% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 88.45% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.37% | 97.79% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.13% | 89.34% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.01% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.77% | 99.17% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 85.89% | 94.42% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.84% | 96.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.45% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.06% | 99.23% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 85.06% | 93.18% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.56% | 83.82% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 84.16% | 92.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.10% | 94.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.07% | 90.93% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.90% | 96.95% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 81.78% | 96.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.38% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.26% | 96.47% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 80.52% | 96.69% |
| CHEMBL204 | P00734 | Thrombin | 80.30% | 96.01% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.20% | 95.17% |
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 | 10234548 |
| LOTUS | LTS0022594 |
| wikiData | Q104180135 |