4,6-Dihydroxy-5-(3,7,11-trimethyldodeca-2,6,10-trienoxy)-2,3-dihydroisoindol-1-one
| Internal ID | 48e18bfe-9b19-4232-9928-ee1c8823f50f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 4,6-dihydroxy-5-(3,7,11-trimethyldodeca-2,6,10-trienoxy)-2,3-dihydroisoindol-1-one |
| SMILES (Canonical) | CC(=CCCC(=CCCC(=CCOC1=C(C=C2C(=C1O)CNC2=O)O)C)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCCC(=CCOC1=C(C=C2C(=C1O)CNC2=O)O)C)C)C |
| InChI | InChI=1S/C23H31NO4/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-28-22-20(25)13-18-19(21(22)26)14-24-23(18)27/h7,9,11,13,25-26H,5-6,8,10,12,14H2,1-4H3,(H,24,27) |
| InChI Key | JHAFURLXNPRDRX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H31NO4 |
| Molecular Weight | 385.50 g/mol |
| Exact Mass | 385.22530847 g/mol |
| Topological Polar Surface Area (TPSA) | 78.80 Ų |
| XlogP | 5.20 |
| 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 | 99.38% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.09% | 98.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 94.80% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.74% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.34% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.33% | 90.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 90.31% | 95.64% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.36% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.25% | 94.75% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 88.87% | 83.57% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.43% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.69% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.06% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.83% | 86.33% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.41% | 93.10% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.94% | 92.08% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.48% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.83% | 90.71% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.33% | 91.03% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.27% | 99.15% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.62% | 91.07% |
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 | 75237209 |
| LOTUS | LTS0034307 |
| wikiData | Q104169522 |