4,6-Dihydroxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)-2,3-dihydroisoindol-1-one
| Internal ID | 5596f967-b24d-43d7-90c5-57f7a92e3e29 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 4,6-dihydroxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)-2,3-dihydroisoindol-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H31NO3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-21(25)13-19-20(22(18)26)14-24-23(19)27/h7,9,11,13,25-26H,5-6,8,10,12,14H2,1-4H3,(H,24,27) |
| InChI Key | CADSRKLISUDMAF-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H31NO3 |
| Molecular Weight | 369.50 g/mol |
| Exact Mass | 369.23039385 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 5.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.32% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.91% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.29% | 89.34% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 94.90% | 95.64% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.92% | 91.49% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 90.49% | 83.57% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.74% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.17% | 90.71% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.99% | 85.30% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.65% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.04% | 92.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.54% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.48% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.38% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.07% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.61% | 86.33% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.14% | 93.10% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.19% | 95.89% |
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.
| There are no matching plants. |
| PubChem | 162880946 |
| LOTUS | LTS0058291 |
| wikiData | Q103817193 |