[(1R,2S,3S,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxycyclohexyl] 14-methylpentadecanoate
Internal ID | cb468291-9e2b-42b6-865d-c4a2a36f4d66 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
IUPAC Name | [(1R,2S,3S,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxycyclohexyl] 14-methylpentadecanoate |
SMILES (Canonical) | CC(C)CCCCCCCCCCCCC(=O)OC1C(C(C(C(C1OC2C(C(C(CO2)O)O)O)O)O)O)O |
SMILES (Isomeric) | CC(C)CCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@H]([C@H]([C@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O)O)O |
InChI | InChI=1S/C27H50O11/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(29)37-25-22(33)20(31)21(32)23(34)26(25)38-27-24(35)19(30)17(28)15-36-27/h16-17,19-28,30-35H,3-15H2,1-2H3/t17-,19+,20+,21-,22+,23-,24-,25-,26-,27+/m1/s1 |
InChI Key | JCSVZMVKNJKNIY-SCQZLMBZSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H50O11 |
Molecular Weight | 550.70 g/mol |
Exact Mass | 550.33531241 g/mol |
Topological Polar Surface Area (TPSA) | 186.00 Ų |
XlogP | 2.40 |
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 |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.21% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.16% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 93.81% | 98.95% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.37% | 99.17% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.01% | 96.47% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.24% | 83.82% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.22% | 85.31% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 91.13% | 92.50% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.84% | 90.71% |
CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 88.06% | 95.71% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.68% | 96.77% |
CHEMBL1744525 | P43490 | Nicotinamide phosphoribosyltransferase | 86.61% | 96.25% |
CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.32% | 94.33% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 84.73% | 98.75% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.63% | 93.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.51% | 94.45% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.54% | 95.89% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.11% | 82.50% |
CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 81.97% | 87.16% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.76% | 91.24% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.51% | 91.19% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.06% | 97.29% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.76% | 94.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.65% | 97.25% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.22% | 100.00% |
CHEMBL4618 | P09960 | Leukotriene A4 hydrolase | 80.16% | 97.86% |
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.
Solanum lanceolatum |
PubChem | 163104532 |
LOTUS | LTS0091667 |
wikiData | Q105125076 |