3-hydroxy-4-methoxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
| Internal ID | 4dfe2efb-014b-45fa-bb58-c9208d41a707 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 3-hydroxy-4-methoxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H32O4/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-19-20(23(25)26)14-15-21(27-5)22(19)24/h8,10,12,14-15,24H,6-7,9,11,13H2,1-5H3,(H,25,26)/b17-10+,18-12+ |
| InChI Key | KTDJJLWNCQHPQK-VZRGJMDUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H32O4 |
| Molecular Weight | 372.50 g/mol |
| Exact Mass | 372.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.70 |
| There are no found synonyms. |
![2D Structure of 3-hydroxy-4-methoxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3-hydroxy-4-methoxy-2-2e6e-3711-trimethyldodeca-2610-trienylbenzoic-acid.jpg "2D Structure of 3-hydroxy-4-methoxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.46% | 96.09% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.39% | 92.08% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.15% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.07% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.99% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.04% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.70% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.46% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.96% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.52% | 97.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.07% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.77% | 91.11% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.86% | 93.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.53% | 94.73% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.78% | 97.36% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.61% | 85.14% |
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 arieianum |
| PubChem | 101784411 |
| LOTUS | LTS0088934 |
| wikiData | Q105145717 |