[4,5-Dihydroxy-2-methyl-6-[2-methyl-5-(2-methylpropanoyloxy)-6-[(24,25,26-trihydroxy-5,23-dimethyl-9-oxo-19-pentyl-2,4,8,20,22-pentaoxatricyclo[19.2.2.13,7]hexacosan-6-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] 2-methylpropanoate
| Internal ID | 812269ae-efa4-44de-b9df-7ec8d80081dd |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [4,5-dihydroxy-2-methyl-6-[2-methyl-5-(2-methylpropanoyloxy)-6-[(24,25,26-trihydroxy-5,23-dimethyl-9-oxo-19-pentyl-2,4,8,20,22-pentaoxatricyclo[19.2.2.13,7]hexacosan-6-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] 2-methylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C54H92O25/c1-10-11-17-20-30-21-18-15-13-12-14-16-19-22-32(56)73-45-40(64)53(76-42-27(7)67-50(71-30)38(62)36(42)60)69-28(8)43(45)78-54-47(75-49(66)25(4)5)46(79-52-37(61)34(58)33(57)31(23-55)72-52)44(29(9)70-54)77-51-39(63)35(59)41(26(6)68-51)74-48(65)24(2)3/h24-31,33-47,50-55,57-64H,10-23H2,1-9H3 |
| InChI Key | YVQQNUMYYOWUHY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C54H92O25 |
| Molecular Weight | 1141.30 g/mol |
| Exact Mass | 1140.59276842 g/mol |
| Topological Polar Surface Area (TPSA) | 353.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of [4,5-Dihydroxy-2-methyl-6-[2-methyl-5-(2-methylpropanoyloxy)-6-[(24,25,26-trihydroxy-5,23-dimethyl-9-oxo-19-pentyl-2,4,8,20,22-pentaoxatricyclo[19.2.2.13,7]hexacosan-6-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/5f2801a0-8548-11ee-869c-41391dd39075.jpg "2D Structure of [4,5-Dihydroxy-2-methyl-6-[2-methyl-5-(2-methylpropanoyloxy)-6-[(24,25,26-trihydroxy-5,23-dimethyl-9-oxo-19-pentyl-2,4,8,20,22-pentaoxatricyclo[19.2.2.13,7]hexacosan-6-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxyoxan-3-yl] 2-methylpropanoate")
| 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 | 99.11% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.01% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.78% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.46% | 96.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 93.23% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.96% | 92.62% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 92.60% | 90.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.33% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.14% | 96.47% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.10% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.88% | 92.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.89% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.54% | 89.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.32% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.42% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.84% | 96.21% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.47% | 97.36% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.26% | 83.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.62% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.53% | 86.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.27% | 94.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.84% | 90.71% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.43% | 98.75% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.02% | 97.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.96% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.91% | 97.79% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.86% | 96.61% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.78% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.81% | 94.73% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.57% | 96.77% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 80.17% | 98.57% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.10% | 92.32% |
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.
| Decalobanthus mammosus |
| PubChem | 14795262 |
| LOTUS | LTS0097383 |
| wikiData | Q105365848 |