3-(6,10-Dimethyl-1-oxoundeca-5,9-dien-2-yl)cyclopentane-1,2-dicarbaldehyde
| Internal ID | 19377faa-3235-4581-a94d-9180557cc7d6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 3-(6,10-dimethyl-1-oxoundeca-5,9-dien-2-yl)cyclopentane-1,2-dicarbaldehyde |
| SMILES (Canonical) | CC(=CCCC(=CCCC(C=O)C1CCC(C1C=O)C=O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCCC(C=O)C1CCC(C1C=O)C=O)C)C |
| InChI | InChI=1S/C20H30O3/c1-15(2)6-4-7-16(3)8-5-9-17(12-21)19-11-10-18(13-22)20(19)14-23/h6,8,12-14,17-20H,4-5,7,9-11H2,1-3H3 |
| InChI Key | HSCUXCZWEKXESM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O3 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 3.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.38% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.30% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.47% | 96.47% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.17% | 92.08% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.75% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.08% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.07% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.43% | 90.08% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 83.06% | 95.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.13% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.01% | 97.25% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.00% | 90.71% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.18% | 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.
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| There are no matching plants. |
| PubChem | 162901510 |
| LOTUS | LTS0098202 |
| wikiData | Q105032981 |