(2R,3R,4S,5S,6R)-2-[(12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Internal ID | ccd37205-b8ea-4c2f-b3f7-abd0e9548ac0 |
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-[(12R)-12,13-dihydroxytrideca-2,8,10-trien-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | C(C=CC#CC#CC=CC=CC(CO)O)OC1C(C(C(C(O1)CO)O)O)O |
SMILES (Isomeric) | C(C=CC#CC#CC=CC=C[C@H](CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
InChI | InChI=1S/C19H24O8/c20-12-14(22)10-8-6-4-2-1-3-5-7-9-11-26-19-18(25)17(24)16(23)15(13-21)27-19/h4,6-10,14-25H,11-13H2/t14-,15-,16-,17+,18-,19-/m1/s1 |
InChI Key | NFAUVXUGYZILOQ-WVXCVLBUSA-N |
Popularity | 0 references in papers |
Molecular Formula | C19H24O8 |
Molecular Weight | 380.40 g/mol |
Exact Mass | 380.14711772 g/mol |
Topological Polar Surface Area (TPSA) | 140.00 Ų |
XlogP | -1.00 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.00% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.63% | 96.09% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.63% | 86.92% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.61% | 99.17% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.52% | 83.82% |
CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.35% | 96.61% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.68% | 97.25% |
CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 82.97% | 97.47% |
CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 82.89% | 95.58% |
CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 82.53% | 92.32% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 81.96% | 95.93% |
CHEMBL3589 | P55263 | Adenosine kinase | 81.90% | 98.05% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.64% | 95.83% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.18% | 96.00% |
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 | 163097776 |
LOTUS | LTS0266226 |
wikiData | Q105178350 |