1-(2,4,5-Trihydroxy-3,6-dimethylphenyl)hex-4-en-1-one
| Internal ID | 350b517b-c00d-47c2-80d3-c9e0a312dc9d |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones |
| IUPAC Name | 1-(2,4,5-trihydroxy-3,6-dimethylphenyl)hex-4-en-1-one |
| SMILES (Canonical) | CC=CCCC(=O)C1=C(C(=C(C(=C1O)C)O)O)C |
| SMILES (Isomeric) | CC=CCCC(=O)C1=C(C(=C(C(=C1O)C)O)O)C |
| InChI | InChI=1S/C14H18O4/c1-4-5-6-7-10(15)11-8(2)13(17)14(18)9(3)12(11)16/h4-5,16-18H,6-7H2,1-3H3 |
| InChI Key | KLQGVWIQLPTWBL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.29 g/mol |
| Exact Mass | 250.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 3.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.86% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.62% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.67% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.15% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.41% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.65% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.37% | 90.00% |
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.
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| There are no matching plants. |
| PubChem | 72790052 |
| LOTUS | LTS0137895 |
| wikiData | Q104170398 |