(2R,3R,4S,5S,6R)-2-[(E,10R)-10,14-dihydroxytetradec-2-en-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Internal ID | f2aa528d-ace8-4f20-a801-424599e8616b |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
IUPAC Name | (2R,3R,4S,5S,6R)-2-[(E,10R)-10,14-dihydroxytetradec-2-en-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | C(CCO)CC(CCC#CC#CC=CCOC1C(C(C(C(O1)CO)O)O)O)O |
SMILES (Isomeric) | C(CCO)C[C@H](CCC#CC#C/C=C/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
InChI | InChI=1S/C20H30O8/c21-12-8-7-11-15(23)10-6-4-2-1-3-5-9-13-27-20-19(26)18(25)17(24)16(14-22)28-20/h5,9,15-26H,6-8,10-14H2/b9-5+/t15-,16+,17+,18-,19+,20+/m0/s1 |
InChI Key | JGJMTHOEBJFJBX-RULMRDESSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H30O8 |
Molecular Weight | 398.40 g/mol |
Exact Mass | 398.19406791 g/mol |
Topological Polar Surface Area (TPSA) | 140.00 Ų |
XlogP | -0.40 |
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 | 94.35% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.54% | 91.11% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.74% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.24% | 86.92% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.12% | 96.00% |
CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 87.68% | 97.47% |
CHEMBL237 | P41145 | Kappa opioid receptor | 87.63% | 98.10% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.01% | 95.89% |
CHEMBL3589 | P55263 | Adenosine kinase | 86.66% | 98.05% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.32% | 94.45% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 85.78% | 95.93% |
CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.42% | 92.86% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 85.01% | 95.58% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.68% | 96.61% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.96% | 95.83% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.75% | 96.47% |
CHEMBL2581 | P07339 | Cathepsin D | 80.94% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.45% | 94.73% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.15% | 83.57% |
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.
Carthamus tinctorius |
PubChem | 56965055 |
LOTUS | LTS0161747 |
wikiData | Q105127442 |