Islandic acid
| Internal ID | 9da1efb3-e0d5-4fd1-8e35-30168830b00e |
| Taxonomy | Organoheterocyclic compounds > Pyrans > Pyranones and derivatives |
| IUPAC Name | (E)-3-[5-[[(2Z,4E)-hexa-2,4-dienoyl]oxymethyl]-3-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]prop-2-enoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H18O8/c1-3-4-5-6-15(21)24-10-12-16(23-2)11(9-18)13(25-17(12)22)7-8-14(19)20/h3-8,18H,9-10H2,1-2H3,(H,19,20)/b4-3+,6-5-,8-7+ |
| InChI Key | OUBRQRPPZKZTIX-GFCVGDSUSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C17H18O8 |
| Molecular Weight | 350.30 g/mol |
| Exact Mass | 350.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 0.30 |
| 81827-56-7 |
| (E)-3-[5-[[(2Z,4E)-hexa-2,4-dienoyl]oxymethyl]-3-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]prop-2-enoic acid |
| 2,4-Hexadienoic acid, N,N'-(1-((4-((bromoacetyl)amino)phenyl)methyl)-1,2-ethanediyl)bis(N-(carboxymethyl)-, (Z,E,E)- |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.31% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.30% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.59% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.10% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.03% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.64% | 83.82% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.97% | 86.92% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.87% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.62% | 91.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.90% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.71% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.03% | 95.50% |
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.
| There are no matching plants. |
| PubChem | 6438979 |
| LOTUS | LTS0163453 |
| wikiData | Q105199991 |