4-methoxy-3,5-bis(3-methylbut-2-enyl)benzoic Acid
| Internal ID | 77be0bab-270f-4591-a1a2-f38e2c071e1b |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | 4-methoxy-3,5-bis(3-methylbut-2-enyl)benzoic acid |
| SMILES (Canonical) | CC(=CCC1=CC(=CC(=C1OC)CC=C(C)C)C(=O)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=CC(=C1OC)CC=C(C)C)C(=O)O)C |
| InChI | InChI=1S/C18H24O3/c1-12(2)6-8-14-10-16(18(19)20)11-15(17(14)21-5)9-7-13(3)4/h6-7,10-11H,8-9H2,1-5H3,(H,19,20) |
| InChI Key | FCYRTWGJYYORNA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H24O3 |
| Molecular Weight | 288.40 g/mol |
| Exact Mass | 288.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.30 |
| 91163-48-3 |
| SCHEMBL3934429 |
| DTXSID30238430 |
| 4-Methoxy-3,5-diprenylbenzoesaure |
| 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 | 91.55% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.35% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.30% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.95% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.14% | 96.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.59% | 83.82% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.70% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.64% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.80% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.68% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.42% | 90.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.25% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.84% | 95.56% |
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.
| Piper aduncum |
| Piper hispidum |
| PubChem | 185077 |
| LOTUS | LTS0072147 |
| wikiData | Q83120739 |