(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)undecan-3-one
Internal ID | f1c5b451-3bb7-466c-8bad-58a2f836cf98 |
Taxonomy | Benzenoids > Phenols > Methoxyphenols > Gingerols |
IUPAC Name | (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)undecan-3-one |
SMILES (Canonical) | CCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
SMILES (Isomeric) | CCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
InChI | InChI=1S/C18H28O4/c1-3-4-5-6-7-15(19)13-16(20)10-8-14-9-11-17(21)18(12-14)22-2/h9,11-12,15,19,21H,3-8,10,13H2,1-2H3/t15-/m0/s1 |
InChI Key | BJUICGMKNZDPOT-HNNXBMFYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C18H28O4 |
Molecular Weight | 308.40 g/mol |
Exact Mass | 308.19875937 g/mol |
Topological Polar Surface Area (TPSA) | 66.80 Ų |
XlogP | 3.60 |
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 | 98.88% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.78% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.43% | 99.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.41% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.25% | 94.45% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.01% | 95.17% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.69% | 92.08% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 91.53% | 100.00% |
CHEMBL2535 | P11166 | Glucose transporter | 89.10% | 98.75% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.53% | 90.71% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 87.94% | 90.20% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.16% | 97.25% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.38% | 86.33% |
CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.90% | 97.29% |
CHEMBL1907 | P15144 | Aminopeptidase N | 84.69% | 93.31% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.62% | 96.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.47% | 95.56% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.54% | 96.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.24% | 94.73% |
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.
Zingiber officinale |
PubChem | 162847016 |
LOTUS | LTS0062749 |
wikiData | Q104937355 |