N-[[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-8-methylnonanamide
Internal ID | b624e351-ec02-4fb0-9d79-f16157bf8130 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
IUPAC Name | N-[[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-8-methylnonanamide |
SMILES (Canonical) | CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC |
SMILES (Isomeric) | CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC |
InChI | InChI=1S/C24H39NO8/c1-15(2)8-6-4-5-7-9-20(27)25-13-16-10-11-17(18(12-16)31-3)32-24-23(30)22(29)21(28)19(14-26)33-24/h10-12,15,19,21-24,26,28-30H,4-9,13-14H2,1-3H3,(H,25,27) |
InChI Key | WKDSNZKQGAQZOM-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H39NO8 |
Molecular Weight | 469.60 g/mol |
Exact Mass | 469.26756720 g/mol |
Topological Polar Surface Area (TPSA) | 138.00 Ų |
XlogP | 1.90 |
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 99.02% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.90% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.81% | 99.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.40% | 91.11% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 92.36% | 90.20% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.62% | 94.45% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.32% | 96.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.66% | 94.73% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.59% | 90.71% |
CHEMBL2535 | P11166 | Glucose transporter | 89.08% | 98.75% |
CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 88.87% | 89.67% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.23% | 95.89% |
CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 87.72% | 89.44% |
CHEMBL220 | P22303 | Acetylcholinesterase | 86.46% | 94.45% |
CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 85.44% | 85.49% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.81% | 97.29% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.77% | 95.50% |
CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.63% | 96.90% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.97% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.54% | 95.56% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.92% | 92.62% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 81.61% | 85.31% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.41% | 92.88% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.36% | 94.80% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.07% | 93.56% |
CHEMBL1075317 | P61964 | WD repeat-containing protein 5 | 80.13% | 96.33% |
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.
Capsicum annuum |
PubChem | 68010243 |
LOTUS | LTS0148802 |
wikiData | Q105307263 |