1-[1,5-Dihydroxy-3-methyl-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxynaphthalen-2-yl]ethanone
| Internal ID | 826232cc-9333-44e6-8378-d800bfc6186a |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 1-[1,5-dihydroxy-3-methyl-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxynaphthalen-2-yl]ethanone |
| SMILES (Canonical) | CC1=CC2=C(C=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1=CC2=C(C=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)O |
| InChI | InChI=1S/C24H30O13/c1-8-5-10-11(26)3-4-13(16(10)19(30)15(8)9(2)25)36-24-22(33)20(31)18(29)14(37-24)7-35-23-21(32)17(28)12(27)6-34-23/h3-5,12,14,17-18,20-24,26-33H,6-7H2,1-2H3 |
| InChI Key | PXPMKWLZBSCHGL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H30O13 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.16864101 g/mol |
| Topological Polar Surface Area (TPSA) | 216.00 Ų |
| XlogP | -1.20 |
| There are no found synonyms. |
![2D Structure of 1-[1,5-Dihydroxy-3-methyl-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxynaphthalen-2-yl]ethanone](https://plantaedb.com/storage/docs/compounds/2023/11/aa846260-85be-11ee-b0a1-a31ec0b9ea22.jpg "2D Structure of 1-[1,5-Dihydroxy-3-methyl-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxynaphthalen-2-yl]ethanone")
| 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 | 99.60% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 98.65% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.06% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.99% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.78% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.47% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.94% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.73% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.49% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.90% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.89% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.61% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.26% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.19% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.33% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.71% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.81% | 96.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.56% | 96.90% |
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.
| Dianella tasmanica |
| PubChem | 22297273 |
| LOTUS | LTS0121951 |
| wikiData | Q105216319 |