4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid
| Internal ID | 7d54344b-1b1d-44c3-a2e3-ec1afe135d08 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives |
| IUPAC Name | 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1)C(=O)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1)C(=O)O)O)C |
| InChI | InChI=1S/C12H14O3/c1-8(2)3-4-9-7-10(12(14)15)5-6-11(9)13/h3,5-7,13H,4H2,1-2H3,(H,14,15) |
| InChI Key | LBSJJNAMGVDGCU-UHFFFAOYSA-N |
| Popularity | 15 references in papers |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.24 g/mol |
| Exact Mass | 206.094294304 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.00 |
| 4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid |
| 4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid |
| 3-dimethylallyl-4-hydroxybenzoic acid |
| CHEBI:31111 |
| 3-Dimethylallyl-4-hydroxybenzoate |
| 4-hydroxy-3-prenylbenzoic acid |
| CHEBI:1845 |
| CHEMBL452154 |
| SCHEMBL1607531 |
| LBSJJNAMGVDGCU-UHFFFAOYSA-N |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 94.90% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 92.01% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.30% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.92% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.35% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.94% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.69% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.62% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.57% | 96.00% |
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.
| Ozothamnus obcordatus |
| Piper hispidum |
| Prunus dulcis |
| Zanthoxylum wutaiense |
| PubChem | 443852 |
| LOTUS | LTS0234943 |
| wikiData | Q27104191 |