(E,2E,6S)-10-hydroxy-2-[(Z)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethyl-7-oxoundec-8-enal
| Internal ID | c565debe-cd25-4a8f-b639-bcf4c215d103 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Acyclic diterpenoids |
| IUPAC Name | (E,2E,6S)-10-hydroxy-2-[(Z)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethyl-7-oxoundec-8-enal |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H32O4/c1-16(12-14-21)7-5-9-18(15-22)10-6-8-17(2)19(23)11-13-20(3,4)24/h9,11-13,15,17,21,24H,5-8,10,14H2,1-4H3/b13-11+,16-12-,18-9+/t17-/m0/s1 |
| InChI Key | IJNXCNLFOIXWSL-AJKKVAPQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (E,2E,6S)-10-hydroxy-2-[(Z)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethyl-7-oxoundec-8-enal](https://plantaedb.com/storage/docs/compounds/2023/11/e2e6s-10-hydroxy-2-z-6-hydroxy-4-methylhex-4-enylidene-610-dimethyl-7-oxoundec-8-enal.jpg "2D Structure of (E,2E,6S)-10-hydroxy-2-[(Z)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethyl-7-oxoundec-8-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 |
|---|---|---|---|---|
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.39% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.85% | 93.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.75% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.17% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 88.64% | 100.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 88.42% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.33% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.17% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.44% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.59% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.20% | 97.25% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.29% | 91.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.05% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.90% | 100.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.82% | 93.18% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.08% | 96.47% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.89% | 92.88% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.73% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.19% | 91.19% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.73% | 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 | 163194263 |
| LOTUS | LTS0083406 |
| wikiData | Q105114025 |