[4-Hydroxy-6-[4-hydroxy-2-methyl-5-octanoyloxy-6-[[7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyl-5-octanoyloxyoxan-3-yl] octanoate
| Internal ID | cae93702-83f0-4da7-94e7-64758e569165 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [4-hydroxy-6-[4-hydroxy-2-methyl-5-octanoyloxy-6-[[7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyl-5-octanoyloxyoxan-3-yl] octanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C64H112O22/c1-8-12-16-22-29-35-45(66)80-54-40(5)75-61(58(51(54)72)81-46(67)36-30-23-17-13-9-2)84-55-41(6)76-62(59(52(55)73)82-47(68)37-31-24-18-14-10-3)85-56-42(7)77-63-60(53(56)74)83-48(69)38-32-26-21-19-20-25-28-34-43(33-27-15-11-4)78-64-57(86-63)50(71)49(70)44(39-65)79-64/h40-44,49-65,70-74H,8-39H2,1-7H3 |
| InChI Key | LRKQAUUKLJJTOD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C64H112O22 |
| Molecular Weight | 1233.60 g/mol |
| Exact Mass | 1232.76452520 g/mol |
| Topological Polar Surface Area (TPSA) | 300.00 Ų |
| XlogP | 11.80 |
| There are no found synonyms. |
![2D Structure of [4-Hydroxy-6-[4-hydroxy-2-methyl-5-octanoyloxy-6-[[7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyl-5-octanoyloxyoxan-3-yl] octanoate](https://plantaedb.com/storage/docs/compounds/2023/11/6ecea1b0-8554-11ee-9ee5-7f549261f7cd.jpg "2D Structure of [4-Hydroxy-6-[4-hydroxy-2-methyl-5-octanoyloxy-6-[[7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyl-5-octanoyloxyoxan-3-yl] octanoate")
| 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 | 98.83% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.85% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.55% | 91.11% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 96.03% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.73% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 94.23% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.53% | 97.79% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 91.42% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.82% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.78% | 97.09% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.38% | 95.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.20% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.82% | 91.19% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.61% | 97.36% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.22% | 95.89% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 84.97% | 90.24% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.71% | 92.62% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.52% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.84% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.41% | 95.56% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.36% | 91.81% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.10% | 94.33% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.96% | 93.67% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.15% | 96.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.00% | 99.23% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 80.92% | 98.57% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.55% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.51% | 96.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.08% | 92.08% |
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.
| Ipomoea purpurea |
| PubChem | 85156816 |
| LOTUS | LTS0114794 |
| wikiData | Q105156181 |