7-(7-Hydroxy-3,7-dimethylocta-2,5-dienoxy)chromen-2-one
| Internal ID | 6e37495f-3dee-410e-a558-6d9f49ed229b |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-(7-hydroxy-3,7-dimethylocta-2,5-dienoxy)chromen-2-one |
| SMILES (Canonical) | CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CC=CC(C)(C)O |
| SMILES (Isomeric) | CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CC=CC(C)(C)O |
| InChI | InChI=1S/C19H22O4/c1-14(5-4-11-19(2,3)21)10-12-22-16-8-6-15-7-9-18(20)23-17(15)13-16/h4,6-11,13,21H,5,12H2,1-3H3 |
| InChI Key | ZHQPRJMIAALFHX-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H22O4 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
| 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 | 97.08% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.58% | 94.73% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 96.37% | 92.51% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.91% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.69% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.22% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.31% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.10% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.21% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.42% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.59% | 89.34% |
| CHEMBL4531 | P17931 | Galectin-3 | 81.80% | 96.90% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.40% | 89.00% |
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.
| Clausena anisum-olens |
| Clausena excavata |
| Hansenia forbesii |
| Rhadinothamnus anceps |
| Zanthoxylum schinifolium |
| PubChem | 74478520 |
| LOTUS | LTS0040812 |
| wikiData | Q105375953 |