4-Methoxy-3-(3-methyl-2-butenyl)-benzoic acid
| Internal ID | 086c628d-954b-4134-8280-156d7a187c56 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | 4-methoxy-3-(3-methylbut-2-enyl)benzoic acid |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1)C(=O)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1)C(=O)O)OC)C |
| InChI | InChI=1S/C13H16O3/c1-9(2)4-5-10-8-11(13(14)15)6-7-12(10)16-3/h4,6-8H,5H2,1-3H3,(H,14,15) |
| InChI Key | LNNPWZRLQGUTPT-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.26 g/mol |
| Exact Mass | 220.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 3.30 |
| 4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid |
| benzoic acid, 4-methoxy-3-(3-methyl-2-butenyl)- |
| 8-Methoxy-2-methyl-2-(4-methyl-pent-3-enyl)-2H-chromen-6-ol |
| InChI=1/C13H16O3/c1-9(2)4-5-10-8-11(13(14)15)6-7-12(10)16-3/h4,6-8H,5H2,1-3H3,(H,14,15 |
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.99% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.86% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.05% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.49% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.09% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 88.36% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.76% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.57% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.68% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.84% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.06% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.00% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.04% | 96.95% |
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.
| Wigandia urens |
| PubChem | 641746 |
| LOTUS | LTS0189862 |
| wikiData | Q105154405 |