(2E,6S)-2-[(Z)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethyl-7-oxoundec-9-enal
| Internal ID | dc289f06-86d4-4513-82ae-facfd3c700c5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids |
| IUPAC Name | (2E,6S)-2-[(Z)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethyl-7-oxoundec-9-enal |
| SMILES (Canonical) | CC(CCCC(=CCCC(=CCO)C)C=O)C(=O)CC=C(C)C |
| SMILES (Isomeric) | C[C@@H](CCC/C(=C\CC/C(=C\CO)/C)/C=O)C(=O)CC=C(C)C |
| InChI | InChI=1S/C20H32O3/c1-16(2)11-12-20(23)18(4)8-6-10-19(15-22)9-5-7-17(3)13-14-21/h9,11,13,15,18,21H,5-8,10,12,14H2,1-4H3/b17-13-,19-9+/t18-/m0/s1 |
| InChI Key | LPJGXKVYNPSGEM-VHMYEWAPSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.50 g/mol |
| Exact Mass | 320.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 4.10 |
| There are no found synonyms. |
![2D Structure of (2E,6S)-2-[(Z)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethyl-7-oxoundec-9-enal](https://plantaedb.com/storage/docs/compounds/2023/11/2e6s-2-z-6-hydroxy-4-methylhex-4-enylidene-610-dimethyl-7-oxoundec-9-enal.jpg "2D Structure of (2E,6S)-2-[(Z)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethyl-7-oxoundec-9-enal")
| 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 | 91.92% | 99.17% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.38% | 91.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.73% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.64% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.04% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.61% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 84.35% | 97.29% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.79% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.77% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.67% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.65% | 91.19% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 82.59% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.28% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.15% | 94.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.47% | 94.45% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 81.30% | 87.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.53% | 96.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.39% | 98.75% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.19% | 100.00% |
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.
| Milleria quinqueflora |
| PubChem | 162999336 |
| LOTUS | LTS0083426 |
| wikiData | Q105155202 |