7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-6-methoxychromen-2-one
| Internal ID | 90a44dac-7d7e-443c-a16b-465cf4f70a91 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-6-methoxychromen-2-one |
| SMILES (Canonical) | CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)OC)CC=CC(C)(C)O |
| SMILES (Isomeric) | C/C(=C\COC1=C(C=C2C=CC(=O)OC2=C1)OC)/C/C=C/C(C)(C)O |
| InChI | InChI=1S/C20H24O5/c1-14(6-5-10-20(2,3)22)9-11-24-18-13-16-15(12-17(18)23-4)7-8-19(21)25-16/h5,7-10,12-13,22H,6,11H2,1-4H3/b10-5+,14-9+ |
| InChI Key | RZHGIBONLJZHIW-SEGXDNKWSA-N |
| Popularity | 1 reference 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 | 3.60 |
| There are no found synonyms. |
![2D Structure of 7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-6-methoxychromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-2e5e-7-hydroxy-37-dimethylocta-25-dienoxy-6-methoxychromen-2-one.jpg "2D Structure of 7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-6-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.24% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.55% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.45% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.13% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.26% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.85% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.91% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.73% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.48% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.43% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.94% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.72% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.39% | 98.75% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 82.01% | 92.38% |
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.
| Citrus trifoliata |
| Zanthoxylum schinifolium |
| PubChem | 102011347 |
| LOTUS | LTS0265534 |
| wikiData | Q105248385 |