7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-8-methoxychromen-2-one
| Internal ID | 59781188-4584-4be4-be44-2e44b25dd7b6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-8-methoxychromen-2-one |
| SMILES (Canonical) | CC(=CC(CC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)OC)C)O)C |
| SMILES (Isomeric) | CC(=C[C@@H](C/C(=C/COC1=C(C2=C(C=C1)C=CC(=O)O2)OC)/C)O)C |
| InChI | InChI=1S/C20H24O5/c1-13(2)11-16(21)12-14(3)9-10-24-17-7-5-15-6-8-18(22)25-19(15)20(17)23-4/h5-9,11,16,21H,10,12H2,1-4H3/b14-9+/t16-/m0/s1 |
| InChI Key | GFBKICMDIVRKJO-IDJPSDCMSA-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) | 65.00 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of 7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-8-methoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-2e5r-5-hydroxy-37-dimethylocta-26-dienoxy-8-methoxychromen-2-one.jpg "2D Structure of 7-[(2E,5R)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]-8-methoxychromen-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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.36% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.52% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.65% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.94% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.60% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.05% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.39% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.03% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.37% | 96.09% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.70% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.66% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.52% | 99.23% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.08% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.95% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.27% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.71% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.72% | 90.00% |
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.
| Zanthoxylum schinifolium |
| PubChem | 162883491 |
| LOTUS | LTS0083702 |
| wikiData | Q105007470 |