[5-[3,4-Dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-4-hydroxy-6-methyl-2-[(4,5,23-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl)oxy]oxan-3-yl] 2-methylbutanoate
| Internal ID | ceb4ef18-1a66-4a21-90bd-cc8840213837 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [5-[3,4-dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-4-hydroxy-6-methyl-2-[(4,5,23-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl)oxy]oxan-3-yl] 2-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C49H84O20/c1-10-12-18-21-30-22-19-16-14-13-15-17-20-23-31(50)64-40-33(52)27(7)60-49(68-41-34(53)32(51)26(6)59-47(41)63-30)43(40)69-48-42(66-45(58)25(5)11-2)37(56)39(29(9)62-48)67-46-36(55)35(54)38(28(8)61-46)65-44(57)24(3)4/h24-30,32-43,46-49,51-56H,10-23H2,1-9H3 |
| InChI Key | YXRHLMJHOAIZRL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C49H84O20 |
| Molecular Weight | 993.20 g/mol |
| Exact Mass | 992.55559506 g/mol |
| Topological Polar Surface Area (TPSA) | 274.00 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of [5-[3,4-Dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-4-hydroxy-6-methyl-2-[(4,5,23-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl)oxy]oxan-3-yl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/0ed118e0-8650-11ee-be3c-7920cd908ecc.jpg "2D Structure of [5-[3,4-Dihydroxy-6-methyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-4-hydroxy-6-methyl-2-[(4,5,23-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-26-yl)oxy]oxan-3-yl] 2-methylbutanoate")
| 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 | 99.12% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.01% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.41% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.48% | 96.09% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 94.27% | 90.24% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.02% | 92.62% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.95% | 96.47% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 91.92% | 96.38% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.96% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.59% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.11% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.83% | 99.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.37% | 91.19% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.29% | 94.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.28% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.55% | 89.00% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 87.24% | 98.57% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 87.14% | 83.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.95% | 95.50% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.64% | 96.61% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.70% | 96.77% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.03% | 97.36% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.63% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.03% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.50% | 97.79% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.19% | 94.73% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.16% | 98.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.12% | 95.89% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.97% | 95.64% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.67% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.58% | 95.56% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.24% | 100.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.82% | 95.71% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 80.56% | 97.78% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.16% | 92.88% |
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 capillacea |
| PubChem | 73834203 |
| LOTUS | LTS0122381 |
| wikiData | Q105368095 |