4-[(2E,4R)-4-hydroxy-3-(hydroxymethyl)-7-methylocta-2,6-dienoxy]-5-methylchromen-2-one
| Internal ID | c4205f67-dd66-4bfd-bcbd-13cebb025816 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 4-[(2E,4R)-4-hydroxy-3-(hydroxymethyl)-7-methylocta-2,6-dienoxy]-5-methylchromen-2-one |
| SMILES (Canonical) | CC1=C2C(=CC=C1)OC(=O)C=C2OCC=C(CO)C(CC=C(C)C)O |
| SMILES (Isomeric) | CC1=C2C(=CC=C1)OC(=O)C=C2OC/C=C(\CO)/[C@@H](CC=C(C)C)O |
| InChI | InChI=1S/C20H24O5/c1-13(2)7-8-16(22)15(12-21)9-10-24-18-11-19(23)25-17-6-4-5-14(3)20(17)18/h4-7,9,11,16,21-22H,8,10,12H2,1-3H3/b15-9+/t16-/m1/s1 |
| InChI Key | HGOYESLTHATKEV-HTRKUNOGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 4-[(2E,4R)-4-hydroxy-3-(hydroxymethyl)-7-methylocta-2,6-dienoxy]-5-methylchromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-2e4r-4-hydroxy-3-hydroxymethyl-7-methylocta-26-dienoxy-5-methylchromen-2-one.jpg "2D Structure of 4-[(2E,4R)-4-hydroxy-3-(hydroxymethyl)-7-methylocta-2,6-dienoxy]-5-methylchromen-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.31% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.05% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.01% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.85% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.57% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.39% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.33% | 94.00% |
| CHEMBL240 | Q12809 | HERG | 91.95% | 89.76% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.98% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.89% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.72% | 94.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 86.51% | 93.65% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.13% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.92% | 85.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.32% | 97.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.79% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.33% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.72% | 95.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.67% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.63% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.82% | 96.95% |
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.
| Mutisia orbignyana |
| PubChem | 163041276 |
| LOTUS | LTS0135408 |
| wikiData | Q105027898 |