Arenol
| Internal ID | 98072a9a-c544-45a0-bff6-4d6dd2cfdc51 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 3-[[4-acetyl-2,3,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-4-hydroxy-5,6-dimethylpyran-2-one |
| SMILES (Canonical) | CC1=C(OC(=O)C(=C1O)CC2=C(C(=C(C(=C2O)O)C(=O)C)CC=C(C)C)O)C |
| SMILES (Isomeric) | CC1=C(OC(=O)C(=C1O)CC2=C(C(=C(C(=C2O)O)C(=O)C)CC=C(C)C)O)C |
| InChI | InChI=1S/C21H24O7/c1-9(2)6-7-13-16(11(4)22)20(26)19(25)14(18(13)24)8-15-17(23)10(3)12(5)28-21(15)27/h6,23-26H,7-8H2,1-5H3 |
| InChI Key | BGLAMXJBTZOWLK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O7 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 3.50 |
| 32274-51-4 |
| 3-[[4-acetyl-2,3,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-4-hydroxy-5,6-dimethylpyran-2-one |
| 3-[4-Acetyl-2,3,6-trihydroxy-5-(3-methyl-2-butenyl)benzyl]-4-hydroxy-5,6-dimethyl-2H-pyran-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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 98.88% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.20% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.22% | 91.11% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 88.93% | 83.57% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.76% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.01% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.66% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.40% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.19% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.85% | 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.
| Helichrysum stoechas |
| PubChem | 71436959 |
| LOTUS | LTS0210000 |
| wikiData | Q104397758 |