[4,5-Dihydroxy-2-[5-hydroxy-2-methyl-4-(2-methylbutanoyloxy)-6-[(4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl)oxy]oxan-3-yl]oxy-6-methyloxan-3-yl] dodecanoate
| Internal ID | 660f23bf-0e2a-42d1-8d90-7dea3f40948c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [4,5-dihydroxy-2-[5-hydroxy-2-methyl-4-(2-methylbutanoyloxy)-6-[(4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl)oxy]oxan-3-yl]oxy-6-methyloxan-3-yl] dodecanoate |
| SMILES (Canonical) | CCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2C(OC(C(C2OC(=O)C(C)CC)O)OC3C(OC4C(C3OC(=O)CCCCCCCCCC(OC5C(O4)C(C(C(O5)C)O)O)CCCCC)O)C)C)C)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2C(OC(C(C2OC(=O)C(C)CC)O)OC3C(OC4C(C3OC(=O)CCCCCCCCCC(OC5C(O4)C(C(C(O5)C)O)O)CCCCC)O)C)C)C)O)O |
| InChI | InChI=1S/C57H100O20/c1-9-12-14-15-16-17-20-23-28-32-40(59)73-51-43(62)41(60)35(6)68-57(51)76-48-37(8)69-54(46(65)50(48)74-53(66)33(4)11-3)75-47-36(7)70-55-45(64)49(47)72-39(58)31-27-24-21-18-19-22-26-30-38(29-25-13-10-2)71-56-52(77-55)44(63)42(61)34(5)67-56/h33-38,41-52,54-57,60-65H,9-32H2,1-8H3 |
| InChI Key | DRHGBIWTDGSGGH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C57H100O20 |
| Molecular Weight | 1105.40 g/mol |
| Exact Mass | 1104.68079558 g/mol |
| Topological Polar Surface Area (TPSA) | 274.00 Ų |
| XlogP | 9.30 |
| There are no found synonyms. |
![2D Structure of [4,5-Dihydroxy-2-[5-hydroxy-2-methyl-4-(2-methylbutanoyloxy)-6-[(4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl)oxy]oxan-3-yl]oxy-6-methyloxan-3-yl] dodecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/e64e2fa0-8535-11ee-b9b1-216302b74103.jpg "2D Structure of [4,5-Dihydroxy-2-[5-hydroxy-2-methyl-4-(2-methylbutanoyloxy)-6-[(4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl)oxy]oxan-3-yl]oxy-6-methyloxan-3-yl] dodecanoate")
| 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 | 99.27% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.93% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 96.32% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.03% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.82% | 97.25% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 94.25% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.08% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.40% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.42% | 92.62% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.38% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.65% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.00% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 89.31% | 96.38% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 89.08% | 90.24% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 88.49% | 98.57% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.77% | 96.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.50% | 95.89% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 87.30% | 83.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.25% | 91.19% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 85.24% | 96.25% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.09% | 98.03% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.00% | 96.77% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 84.96% | 95.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.81% | 97.09% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.81% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.35% | 100.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.09% | 90.08% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.84% | 97.29% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.81% | 93.67% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.56% | 82.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.53% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.53% | 95.56% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.24% | 95.50% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.10% | 97.36% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 80.01% | 95.64% |
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 pes-caprae |
| PubChem | 73316983 |
| LOTUS | LTS0052017 |
| wikiData | Q104987409 |