[5-[3,4-Dihydroxy-6-methyl-5-(2-methylbutanoyloxy)oxan-2-yl]oxy-6-methyl-2-[(7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl)oxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] dodecanoate
| Internal ID | 112061e8-4f43-4fb6-9bf8-7a52393d386e |
| 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-[(7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl)oxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] dodecanoate |
| SMILES (Canonical) | CCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2C(OC3C(C2O)OC(=O)CCCCCCCCCC(OC4C(O3)C(C(C(O4)C)O)O)CCCCC)C)C)OC5C(C(C(C(O5)C)OC(=O)C(C)CC)O)O)OC6C(C(C(C(O6)C)O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCC(=O)OC1C(C(C(OC1OC2C(OC3C(C2O)OC(=O)CCCCCCCCCC(OC4C(O3)C(C(C(O4)C)O)O)CCCCC)C)C)OC5C(C(C(C(O5)C)OC(=O)C(C)CC)O)O)OC6C(C(C(C(O6)C)O)O)O |
| InChI | InChI=1S/C63H110O24/c1-10-13-15-16-17-18-21-24-29-33-42(65)82-57-56(87-59-48(71)45(68)43(66)35(5)75-59)53(85-60-49(72)47(70)51(37(7)77-60)83-58(74)34(4)12-3)39(9)79-63(57)84-52-38(8)78-62-55(50(52)73)81-41(64)32-28-25-22-19-20-23-27-31-40(30-26-14-11-2)80-61-54(86-62)46(69)44(67)36(6)76-61/h34-40,43-57,59-63,66-73H,10-33H2,1-9H3 |
| InChI Key | TWHGZSZZNXEREY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C63H110O24 |
| Molecular Weight | 1251.50 g/mol |
| Exact Mass | 1250.73870437 g/mol |
| Topological Polar Surface Area (TPSA) | 333.00 Ų |
| XlogP | 8.20 |
| There are no found synonyms. |
![2D Structure of [5-[3,4-Dihydroxy-6-methyl-5-(2-methylbutanoyloxy)oxan-2-yl]oxy-6-methyl-2-[(7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl)oxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] dodecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/6cf29e40-8671-11ee-afaa-a741fd95757e.jpg "2D Structure of [5-[3,4-Dihydroxy-6-methyl-5-(2-methylbutanoyloxy)oxan-2-yl]oxy-6-methyl-2-[(7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl)oxy]-4-(3,4,5-trihydroxy-6-methyloxan-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 | 99.25% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.24% | 96.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 96.33% | 92.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.35% | 91.11% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 94.37% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.72% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.28% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.46% | 93.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.64% | 92.62% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 90.51% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.27% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.18% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.69% | 96.38% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 88.55% | 90.24% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.65% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.36% | 96.61% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.35% | 97.36% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.22% | 97.79% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.79% | 83.00% |
| CHEMBL1968 | P07099 | Epoxide hydrolase 1 | 85.95% | 98.57% |
| CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 85.55% | 96.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.22% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.92% | 91.19% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.17% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.12% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.30% | 86.33% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.29% | 94.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.25% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.97% | 95.56% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.60% | 82.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.11% | 98.03% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.48% | 95.64% |
| CHEMBL4072 | P07858 | Cathepsin B | 81.45% | 93.67% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.95% | 92.86% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.39% | 96.37% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.25% | 97.29% |
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 imperati |
| PubChem | 163045034 |
| LOTUS | LTS0203437 |
| wikiData | Q105265834 |