[5-[3,4-Dihydroxy-6-methyl-5-(2-methylbutanoyloxy)oxan-2-yl]oxy-6-methyl-2-[(4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-propyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] dodecanoate
| Internal ID | 06bfc148-f838-4539-a786-82b93b525e63 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [5-[3,4-dihydroxy-6-methyl-5-(2-methylbutanoyloxy)oxan-2-yl]oxy-6-methyl-2-[(4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-propyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] dodecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C61H106O25/c1-9-12-13-14-15-16-19-22-26-30-40(64)81-55-54(86-58-46(70)43(67)42(66)38(31-62)79-58)51(83-57-47(71)45(69)49(34(6)75-57)82-56(73)32(4)11-3)36(8)77-61(55)84-50-35(7)76-59-48(72)52(50)80-39(63)29-25-23-20-17-18-21-24-28-37(27-10-2)78-60-53(85-59)44(68)41(65)33(5)74-60/h32-38,41-55,57-62,65-72H,9-31H2,1-8H3 |
| InChI Key | XSSWLZAUKLFKDU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C61H106O25 |
| Molecular Weight | 1239.50 g/mol |
| Exact Mass | 1238.70231886 g/mol |
| Topological Polar Surface Area (TPSA) | 353.00 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of [5-[3,4-Dihydroxy-6-methyl-5-(2-methylbutanoyloxy)oxan-2-yl]oxy-6-methyl-2-[(4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-propyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] dodecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/0f490030-86cf-11ee-9789-9d2b2d867ea4.jpg "2D Structure of [5-[3,4-Dihydroxy-6-methyl-5-(2-methylbutanoyloxy)oxan-2-yl]oxy-6-methyl-2-[(4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-propyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl)oxy]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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 | 99.29% | 98.95% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 97.17% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.98% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.98% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.21% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 94.87% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.47% | 97.25% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 93.98% | 93.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.49% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.55% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.40% | 92.62% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 90.44% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.42% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.28% | 97.09% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 88.69% | 97.36% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.83% | 90.71% |
| CHEMBL4072 | P07858 | Cathepsin B | 87.24% | 93.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.24% | 95.89% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.80% | 95.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.46% | 96.38% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.06% | 83.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.56% | 97.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.25% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.11% | 86.33% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.35% | 96.61% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.27% | 94.33% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.00% | 98.10% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.77% | 98.03% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.75% | 96.21% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 83.29% | 82.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.12% | 91.19% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.95% | 92.86% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.32% | 96.00% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 82.05% | 98.57% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.01% | 91.49% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 81.69% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.36% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.03% | 90.08% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.83% | 96.37% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.81% | 92.32% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.28% | 98.46% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.06% | 93.04% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.02% | 94.66% |
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 quamoclit |
| PubChem | 73116115 |
| LOTUS | LTS0061182 |
| wikiData | Q105341243 |