[4,5-Dihydroxy-2-(3,7,11-trimethyl-9-oxododeca-1,6,10-trien-3-yl)oxyoxan-3-yl] acetate
| Internal ID | b929c3c3-ad8a-4944-b07e-c0f0552bf40e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [4,5-dihydroxy-2-(3,7,11-trimethyl-9-oxododeca-1,6,10-trien-3-yl)oxyoxan-3-yl] acetate |
| SMILES (Canonical) | CC(=CC(=O)CC(=CCCC(C)(C=C)OC1C(C(C(CO1)O)O)OC(=O)C)C)C |
| SMILES (Isomeric) | CC(=CC(=O)CC(=CCCC(C)(C=C)OC1C(C(C(CO1)O)O)OC(=O)C)C)C |
| InChI | InChI=1S/C22H34O7/c1-7-22(6,10-8-9-15(4)12-17(24)11-14(2)3)29-21-20(28-16(5)23)19(26)18(25)13-27-21/h7,9,11,18-21,25-26H,1,8,10,12-13H2,2-6H3 |
| InChI Key | QDTLKMXDFKLFMH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O7 |
| Molecular Weight | 410.50 g/mol |
| Exact Mass | 410.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of [4,5-Dihydroxy-2-(3,7,11-trimethyl-9-oxododeca-1,6,10-trien-3-yl)oxyoxan-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/45-dihydroxy-2-3711-trimethyl-9-oxododeca-1610-trien-3-yloxyoxan-3-yl-acetate.jpg "2D Structure of [4,5-Dihydroxy-2-(3,7,11-trimethyl-9-oxododeca-1,6,10-trien-3-yl)oxyoxan-3-yl] 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 | 95.31% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.66% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.32% | 89.34% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.93% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.37% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 90.49% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.48% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 89.70% | 94.33% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.55% | 98.75% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 88.11% | 97.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.72% | 94.73% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.26% | 91.07% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.97% | 99.17% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.35% | 82.50% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.34% | 95.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.97% | 91.19% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.64% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.27% | 96.47% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.84% | 92.88% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.63% | 89.50% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 80.95% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.52% | 97.21% |
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.
| Polyachyrus fuscus |
| PubChem | 162866314 |
| LOTUS | LTS0060848 |
| wikiData | Q105218966 |