Shogaol
Internal ID | 538c40b1-0280-48a5-9d42-df87a430ee5c |
Taxonomy | Benzenoids > Phenols > Methoxyphenols > Shogaols |
IUPAC Name | (E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one |
SMILES (Canonical) | CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC |
SMILES (Isomeric) | CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC |
InChI | InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3/b8-7+ |
InChI Key | OQWKEEOHDMUXEO-BQYQJAHWSA-N |
Popularity | 680 references in papers |
Molecular Formula | C17H24O3 |
Molecular Weight | 276.40 g/mol |
Exact Mass | 276.17254462 g/mol |
Topological Polar Surface Area (TPSA) | 46.50 Ų |
XlogP | 3.70 |
6-Shogaol |
555-66-8 |
enexasogaol |
(6)-Shogaol |
[6]-Shogaol |
23513-13-5 |
(E)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one |
Trans-6-Shogaol |
Shogaol (6-Shogaol) |
CCRIS 2038 |
There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of Shogaol 2D Structure of Shogaol](https://plantaedb.com/storage/docs/compounds/2023/07/shogaol.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase |
7400 nM |
IC50 |
PMID: 18976930
|
CHEMBL214 | P08908 | Serotonin 1a (5-HT1a) receptor |
18020 nM |
Ki |
PMID: 20363635
|
CHEMBL4794 | Q8NER1 | Vanilloid receptor |
290 nM 290 nM |
IC50 IC50 |
via Super-PRED
PMID: 22257892 |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 98.83% | 99.17% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.49% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.53% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 94.72% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.69% | 94.45% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.01% | 92.08% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.45% | 86.33% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.58% | 100.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.18% | 95.56% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.93% | 96.95% |
CHEMBL2535 | P11166 | Glucose transporter | 85.46% | 98.75% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.60% | 95.50% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 83.62% | 90.20% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.55% | 90.71% |
CHEMBL3401 | O75469 | Pregnane X receptor | 80.74% | 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.
Aframomum melegueta |
Chaenomeles sinensis |
Zingiber officinale |
Zingiber zerumbet |
PubChem | 5281794 |
NPASS | NPC164778 |
ChEMBL | CHEMBL25948 |
LOTUS | LTS0176515 |
wikiData | Q2746448 |