5-[(10S)-11-chloro-10-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-4,6-dimethoxy-2,3-dihydroisoindol-1-one
| Internal ID | 555574b1-b1ab-45f3-81bf-8cc3bcd672cb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 5-[(10S)-11-chloro-10-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-4,6-dimethoxy-2,3-dihydroisoindol-1-one |
| SMILES (Canonical) | CC(=CCCC(=CCOC1=C(C=C2C(=C1OC)CNC2=O)OC)C)CCC(C(C)(C)Cl)O |
| SMILES (Isomeric) | CC(=CCCC(=CCOC1=C(C=C2C(=C1OC)CNC2=O)OC)C)CC[C@@H](C(C)(C)Cl)O |
| InChI | InChI=1S/C25H36ClNO5/c1-16(10-11-21(28)25(3,4)26)8-7-9-17(2)12-13-32-23-20(30-5)14-18-19(22(23)31-6)15-27-24(18)29/h8,12,14,21,28H,7,9-11,13,15H2,1-6H3,(H,27,29)/t21-/m0/s1 |
| InChI Key | XHARUSJPEBQZJG-NRFANRHFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H36ClNO5 |
| Molecular Weight | 466.00 g/mol |
| Exact Mass | 465.2282009 g/mol |
| Topological Polar Surface Area (TPSA) | 77.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of 5-[(10S)-11-chloro-10-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-4,6-dimethoxy-2,3-dihydroisoindol-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/2d284e70-857a-11ee-a0d4-ff0993566724.jpg "2D Structure of 5-[(10S)-11-chloro-10-hydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]-4,6-dimethoxy-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 | 98.42% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.62% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.30% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.01% | 89.34% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.92% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.61% | 99.17% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 91.09% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 91.02% | 91.03% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.18% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.05% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.79% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.66% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.64% | 93.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.58% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.22% | 89.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.94% | 92.88% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.30% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.90% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.72% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.08% | 91.07% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.88% | 89.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.40% | 94.00% |
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.
| Aegiceras corniculatum |
| PubChem | 162870171 |
| LOTUS | LTS0176095 |
| wikiData | Q105327960 |