6-Hydroxy-7-(5-hydroxy-3,7-dimethylocta-2,6-dienoxy)chromen-2-one
| Internal ID | 80cab3a9-4e61-4b6a-8ba7-f664b8d04c9c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 6-hydroxy-7-(5-hydroxy-3,7-dimethylocta-2,6-dienoxy)chromen-2-one |
| SMILES (Canonical) | CC(=CC(CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)O)C)O)C |
| SMILES (Isomeric) | CC(=CC(CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)O)C)O)C |
| InChI | InChI=1S/C19H22O5/c1-12(2)8-15(20)9-13(3)6-7-23-18-11-17-14(10-16(18)21)4-5-19(22)24-17/h4-6,8,10-11,15,20-21H,7,9H2,1-3H3 |
| InChI Key | RAMCPIBPYJZTNE-UHFFFAOYSA-N |
| Popularity | 1 reference 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 | 3.80 |
| 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 | 98.33% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.06% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.36% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.07% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.50% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.35% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.38% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.85% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.71% | 97.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.34% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.13% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.17% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.43% | 96.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.35% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.94% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.88% | 90.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.80% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.01% | 96.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.68% | 93.10% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.62% | 94.45% |
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.
| Haplopappus multifolius |
| PubChem | 90906848 |
| LOTUS | LTS0082614 |
| wikiData | Q105232700 |