5-[(2E,6E,10S)-11-chloro-10-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-4-hydroxy-6-methoxy-2,3-dihydroisoindol-1-one
| Internal ID | 456f4075-0682-4616-9a46-6732d81949e7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 5-[(2E,6E,10S)-11-chloro-10-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-4-hydroxy-6-methoxy-2,3-dihydroisoindol-1-one |
| SMILES (Canonical) | CC(=CCCC(=CCOC1=C(C=C2C(=C1O)CNC2=O)OC)C)CCC(C(C)(C)Cl)O |
| SMILES (Isomeric) | C/C(=C\CC/C(=C/COC1=C(C=C2C(=C1O)CNC2=O)OC)/C)/CC[C@@H](C(C)(C)Cl)O |
| InChI | InChI=1S/C24H34ClNO5/c1-15(9-10-20(27)24(3,4)25)7-6-8-16(2)11-12-31-22-19(30-5)13-17-18(21(22)28)14-26-23(17)29/h7,11,13,20,27-28H,6,8-10,12,14H2,1-5H3,(H,26,29)/b15-7+,16-11+/t20-/m0/s1 |
| InChI Key | JKLCERLINKCBEF-SHUIUCSMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H34ClNO5 |
| Molecular Weight | 452.00 g/mol |
| Exact Mass | 451.2125509 g/mol |
| Topological Polar Surface Area (TPSA) | 88.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of 5-[(2E,6E,10S)-11-chloro-10-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-4-hydroxy-6-methoxy-2,3-dihydroisoindol-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/880cb5e0-82bb-11ee-bdc1-3df9932be0a7.jpg "2D Structure of 5-[(2E,6E,10S)-11-chloro-10-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-4-hydroxy-6-methoxy-2,3-dihydroisoindol-1-one")
| 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 | 99.52% | 91.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.58% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.65% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.82% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.97% | 99.17% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 93.24% | 91.03% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 92.47% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.72% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.34% | 97.25% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.96% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.62% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.08% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.52% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.91% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.53% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.91% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.05% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.80% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.69% | 91.07% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.67% | 92.88% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.32% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.12% | 94.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.12% | 95.89% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.46% | 93.31% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.16% | 93.18% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.73% | 96.77% |
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.
| Aegiceras corniculatum |
| PubChem | 163193145 |
| LOTUS | LTS0206444 |
| wikiData | Q105130304 |