Beta-Glcp-(1-->6)-beta-Glcp-(1-->6)-beta-GlcpNAcyl-(1-->2)-alpha-Glcp-(1-->1)-glycerol diester
| Internal ID | 76d711f8-991a-40b1-8212-5cabee96d5c8 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Amino sugars > Acylaminosugars |
| IUPAC Name | [3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-(pentadecanoylamino)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-pentadecanoyloxypropyl] pentadecanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C72H133NO25/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-54(76)73-57-62(83)60(81)52(47-92-71-67(88)64(85)61(82)53(97-71)48-91-70-66(87)63(84)58(79)50(43-74)94-70)96-69(57)98-68-65(86)59(80)51(44-75)95-72(68)90-46-49(93-56(78)42-39-36-33-30-27-24-21-18-15-12-9-6-3)45-89-55(77)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49-53,57-72,74-75,79-88H,4-48H2,1-3H3,(H,73,76)/t49?,50-,51-,52-,53-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66-,67-,68-,69+,70-,71-,72-/m1/s1 |
| InChI Key | XNGQGXKXJGVOCC-RAEDGPRDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C72H133NO25 |
| Molecular Weight | 1412.80 g/mol |
| Exact Mass | 1411.91666873 g/mol |
| Topological Polar Surface Area (TPSA) | 398.00 Ų |
| XlogP | 12.30 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.89% | 99.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 98.06% | 92.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.50% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.19% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.65% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.58% | 98.95% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 92.26% | 85.94% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.21% | 96.61% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.94% | 94.73% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 89.42% | 92.86% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.41% | 97.29% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 89.08% | 83.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.84% | 95.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 88.71% | 94.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.32% | 97.79% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.84% | 92.08% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.36% | 96.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.15% | 95.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.41% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.10% | 91.19% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.96% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.63% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.44% | 100.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.74% | 96.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 83.09% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.83% | 95.93% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.48% | 82.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.46% | 97.25% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 81.44% | 95.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.34% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.13% | 99.23% |
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 | 139585638 |
| LOTUS | LTS0197688 |
| wikiData | Q77484160 |