3-Geranyl-4-methoxybenzoic acid
| Internal ID | acd9bc57-c132-4d24-bd5a-e8f026170854 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxybenzoic acid |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=CC(=C1)C(=O)O)OC)C)C |
| SMILES (Isomeric) | CC(=CCC/C(=C/CC1=C(C=CC(=C1)C(=O)O)OC)/C)C |
| InChI | InChI=1S/C18H24O3/c1-13(2)6-5-7-14(3)8-9-15-12-16(18(19)20)10-11-17(15)21-4/h6,8,10-12H,5,7,9H2,1-4H3,(H,19,20)/b14-8+ |
| InChI Key | IHSAYXMNBDVWDA-RIYZIHGNSA-N |
| Popularity | 1 reference 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 | 5.20 |
| 246266-38-6 |
| 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxybenzoic acid |
| C18H24O3 |
| (E)-3-(3',7'-dimethyl-2',6'-octadienyl)-4-methoxybenzoic acid |
| (E)-3-(3,7-dimethyl-2,6-octadien-1-yl)-4-methoxybenzoic acid |
| CHEMBL490664 |
| AKOS022184839 |
| FS-9651 |
| Benzoic acid, 3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-4-methoxy- |
| 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 |
|---|---|---|---|---|
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.28% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.15% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 94.73% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.26% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.00% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.81% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.62% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.47% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.73% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.60% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 84.00% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.80% | 97.21% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.65% | 98.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.53% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.24% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.15% | 95.50% |
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 gaudichaudianum |
| PubChem | 10517475 |
| LOTUS | LTS0091688 |
| wikiData | Q105113231 |