[4-hydroxy-5-methyl-2-[(2E,7Z)-3,7,11-trimethyl-9-oxododeca-2,7-dienyl]phenyl] acetate
| Internal ID | a9ffb2d0-d556-4eb9-9858-2903dd14744d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [4-hydroxy-5-methyl-2-[(2E,7Z)-3,7,11-trimethyl-9-oxododeca-2,7-dienyl]phenyl] acetate |
| SMILES (Canonical) | CC1=CC(=C(C=C1O)CC=C(C)CCCC(=CC(=O)CC(C)C)C)OC(=O)C |
| SMILES (Isomeric) | CC1=CC(=C(C=C1O)C/C=C(\C)/CCC/C(=C\C(=O)CC(C)C)/C)OC(=O)C |
| InChI | InChI=1S/C24H34O4/c1-16(2)12-22(26)13-18(4)9-7-8-17(3)10-11-21-15-23(27)19(5)14-24(21)28-20(6)25/h10,13-16,27H,7-9,11-12H2,1-6H3/b17-10+,18-13- |
| InChI Key | ABJRGWIGTXMLIB-BHOLAXHDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H34O4 |
| Molecular Weight | 386.50 g/mol |
| Exact Mass | 386.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of [4-hydroxy-5-methyl-2-[(2E,7Z)-3,7,11-trimethyl-9-oxododeca-2,7-dienyl]phenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-hydroxy-5-methyl-2-2e7z-3711-trimethyl-9-oxododeca-27-dienylphenyl-acetate.jpg "2D Structure of [4-hydroxy-5-methyl-2-[(2E,7Z)-3,7,11-trimethyl-9-oxododeca-2,7-dienyl]phenyl] acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.95% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.88% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.70% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.54% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.25% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.29% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.11% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.66% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.60% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.45% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.34% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.61% | 96.95% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.88% | 85.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.35% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.66% | 86.33% |
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.
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| There are no matching plants. |
| PubChem | 11811126 |
| LOTUS | LTS0124020 |
| wikiData | Q104908642 |