7-[(2E,5R,6S)-5,6-dihydroxy-3,7-dimethylocta-2,7-dienoxy]chromen-2-one
| Internal ID | 60c067fb-1299-4d2f-9806-bc88b22175ee |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 7-[(2E,5R,6S)-5,6-dihydroxy-3,7-dimethylocta-2,7-dienoxy]chromen-2-one |
| SMILES (Canonical) | CC(=C)C(C(CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)O)O |
| SMILES (Isomeric) | CC(=C)[C@@H]([C@@H](C/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)O)O |
| InChI | InChI=1S/C19H22O5/c1-12(2)19(22)16(20)10-13(3)8-9-23-15-6-4-14-5-7-18(21)24-17(14)11-15/h4-8,11,16,19-20,22H,1,9-10H2,2-3H3/b13-8+/t16-,19+/m1/s1 |
| InChI Key | AQAHNKHOPZXLAT-QDONECOQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O5 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.14672380 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 7-[(2E,5R,6S)-5,6-dihydroxy-3,7-dimethylocta-2,7-dienoxy]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-2e5r6s-56-dihydroxy-37-dimethylocta-27-dienoxychromen-2-one.jpg "2D Structure of 7-[(2E,5R,6S)-5,6-dihydroxy-3,7-dimethylocta-2,7-dienoxy]chromen-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 | 97.09% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.02% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.50% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.30% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.01% | 94.73% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.71% | 92.51% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.71% | 91.49% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 88.31% | 83.57% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.48% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.86% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.31% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.49% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.10% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.35% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.42% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.99% | 90.71% |
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 | 163190830 |
| LOTUS | LTS0038399 |
| wikiData | Q104916675 |