4-Hydroxy-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzoic acid
| Internal ID | b6621c0c-a413-4748-a690-256c6c8bd7c6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 4-hydroxy-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzoic acid |
| SMILES (Canonical) | CC(=CCCC(=CCCC(=CCOC1=C(C=CC(=C1)C(=O)O)O)C)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCCC(=CCOC1=C(C=CC(=C1)C(=O)O)O)C)C)C |
| InChI | InChI=1S/C22H30O4/c1-16(2)7-5-8-17(3)9-6-10-18(4)13-14-26-21-15-19(22(24)25)11-12-20(21)23/h7,9,11-13,15,23H,5-6,8,10,14H2,1-4H3,(H,24,25) |
| InChI Key | YPSYTZIIVLKBKJ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H30O4 |
| Molecular Weight | 358.50 g/mol |
| Exact Mass | 358.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.71% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.33% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.20% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.45% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 92.05% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.03% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.11% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.32% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.23% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.93% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.84% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.59% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.60% | 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.
| Limnophila geoffrayi |
| PubChem | 162983666 |
| LOTUS | LTS0128520 |
| wikiData | Q105351844 |