[(3R)-1-[[(2R,3R,4R,5S,6R)-6-[[(3R,4R,5S,6R)-4,5-dihydroxy-3-[[(3R)-3-[(3R)-3-hydroxydecanoyl]oxydecanoyl]amino]-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(3R)-3-hydroxydecanoyl]oxy-2-phosphonooxyoxan-3-yl]amino]-1-oxodecan-3-yl] dodecanoate
| Internal ID | 91588f8d-b05c-4511-b649-8723efa1537c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Amino sugars > Acylaminosugars |
| IUPAC Name | [(3R)-1-[[(2R,3R,4R,5S,6R)-6-[[(3R,4R,5S,6R)-4,5-dihydroxy-3-[[(3R)-3-[(3R)-3-hydroxydecanoyl]oxydecanoyl]amino]-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(3R)-3-hydroxydecanoyl]oxy-2-phosphonooxyoxan-3-yl]amino]-1-oxodecan-3-yl] dodecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C64H119N2O21P/c1-6-11-16-21-22-23-24-29-34-39-54(72)82-48(37-32-27-19-14-9-4)42-53(71)66-58-62(86-56(74)41-47(69)36-31-26-18-13-8-3)60(76)51(85-64(58)87-88(78,79)80)45-81-63-57(61(77)59(75)50(44-67)84-63)65-52(70)43-49(38-33-28-20-15-10-5)83-55(73)40-46(68)35-30-25-17-12-7-2/h46-51,57-64,67-69,75-77H,6-45H2,1-5H3,(H,65,70)(H,66,71)(H2,78,79,80)/t46-,47-,48-,49-,50-,51-,57-,58-,59-,60-,61-,62-,63?,64-/m1/s1 |
| InChI Key | MNZSQEOUUWNMGH-MWLBTNMNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C64H119N2O21P |
| Molecular Weight | 1283.60 g/mol |
| Exact Mass | 1282.80429581 g/mol |
| Topological Polar Surface Area (TPSA) | 353.00 Ų |
| XlogP | 12.00 |
| There are no found synonyms. |
![2D Structure of [(3R)-1-[[(2R,3R,4R,5S,6R)-6-[[(3R,4R,5S,6R)-4,5-dihydroxy-3-[[(3R)-3-[(3R)-3-hydroxydecanoyl]oxydecanoyl]amino]-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(3R)-3-hydroxydecanoyl]oxy-2-phosphonooxyoxan-3-yl]amino]-1-oxodecan-3-yl] dodecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/2c80ee90-8719-11ee-9601-e96c6e51002b.jpg "2D Structure of [(3R)-1-[[(2R,3R,4R,5S,6R)-6-[[(3R,4R,5S,6R)-4,5-dihydroxy-3-[[(3R)-3-[(3R)-3-hydroxydecanoyl]oxydecanoyl]amino]-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxy-4-[(3R)-3-hydroxydecanoyl]oxy-2-phosphonooxyoxan-3-yl]amino]-1-oxodecan-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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 99.20% | 97.29% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 99.00% | 92.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.58% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.71% | 96.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 96.22% | 92.86% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.74% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.29% | 98.95% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 92.53% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.51% | 98.03% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.36% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.65% | 97.25% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 90.23% | 80.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.77% | 94.73% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.54% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.44% | 94.45% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 88.35% | 82.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.70% | 95.50% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 87.30% | 94.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.27% | 96.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.14% | 97.79% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.98% | 96.47% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.75% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.45% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.14% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.88% | 99.23% |
| CHEMBL3776 | Q14790 | Caspase-8 | 82.82% | 97.06% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.61% | 96.21% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 82.31% | 85.94% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.15% | 92.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.15% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.03% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.45% | 97.09% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.98% | 100.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.68% | 95.17% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 80.23% | 95.93% |
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.
| There are no matching plants. |
| PubChem | 139583538 |
| LOTUS | LTS0072705 |
| wikiData | Q75063705 |