2-[4-[5-[5-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3-methylbutyl]-7-[7-[3-(1-hydroxy-2-methylbutyl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]dibenzofuran-1,9-diol
| Internal ID | 9dc2c912-d57f-4bf7-bb3d-77a9a14fed36 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 2-[4-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3-methylbutyl]-7-[7-[3-(1-hydroxy-2-methylbutyl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]dibenzofuran-1,9-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C50H72O15/c1-9-26(4)43(53)49-38(64-49)19-24(2)11-10-12-27(5)32-20-33(51)41-37(21-32)62-36-16-15-31(45(55)42(36)41)14-13-25(3)23-58-50-47(57)46(56)48(30(8)61-50)65-39-18-17-35(28(6)59-39)63-40-22-34(52)44(54)29(7)60-40/h10-12,15-16,20-21,24-26,28-30,34-35,38-40,43-44,46-57H,9,13-14,17-19,22-23H2,1-8H3 |
| InChI Key | TZYNOEQOBDAWPQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C50H72O15 |
| Molecular Weight | 913.10 g/mol |
| Exact Mass | 912.48712159 g/mol |
| Topological Polar Surface Area (TPSA) | 223.00 Ų |
| XlogP | 7.00 |
| There are no found synonyms. |
![2D Structure of 2-[4-[5-[5-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3-methylbutyl]-7-[7-[3-(1-hydroxy-2-methylbutyl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]dibenzofuran-1,9-diol](https://plantaedb.com/storage/docs/compounds/2023/11/47f22f10-85bd-11ee-9547-457dadf1a7ed.jpg "2D Structure of 2-[4-[5-[5-(4,5-Dihydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3-methylbutyl]-7-[7-[3-(1-hydroxy-2-methylbutyl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]dibenzofuran-1,9-diol")
| 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 | 99.79% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.55% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.93% | 89.00% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 96.52% | 95.58% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.78% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.76% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.56% | 86.33% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 92.89% | 97.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.18% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.54% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.53% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.06% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.01% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.98% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.95% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.92% | 96.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.49% | 89.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.39% | 97.21% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 86.33% | 98.05% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.11% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.83% | 93.99% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.83% | 100.00% |
| CHEMBL2360 | P00492 | Hypoxanthine-guanine phosphoribosyltransferase | 82.45% | 87.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.06% | 100.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.01% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.84% | 85.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.66% | 100.00% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 80.60% | 91.43% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.31% | 94.00% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.08% | 94.03% |
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 | 72823640 |
| LOTUS | LTS0078705 |
| wikiData | Q104197993 |