5,7-dihydroxy-2-(3-methylbutyl)-3-oxo-6-(3-oxotetradeca-4,6-dienyl)-1H-isoindole-4-carboxylic acid
| Internal ID | 607b3efc-9bf5-4ef0-9d81-d00401eb3251 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives |
| IUPAC Name | 5,7-dihydroxy-2-(3-methylbutyl)-3-oxo-6-(3-oxotetradeca-4,6-dienyl)-1H-isoindole-4-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H39NO6/c1-4-5-6-7-8-9-10-11-12-13-20(30)14-15-21-25(31)22-18-29(17-16-19(2)3)27(33)23(22)24(26(21)32)28(34)35/h10-13,19,31-32H,4-9,14-18H2,1-3H3,(H,34,35) |
| InChI Key | MTRQOGAXJIIUAW-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H39NO6 |
| Molecular Weight | 485.60 g/mol |
| Exact Mass | 485.27773796 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 6.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.93% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.75% | 95.17% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 96.19% | 95.34% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.94% | 89.34% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.06% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.75% | 94.45% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.09% | 96.47% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.44% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.34% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.96% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.89% | 96.09% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 91.59% | 95.71% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 91.34% | 95.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.91% | 93.56% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 89.90% | 97.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.47% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.92% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.38% | 99.23% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.28% | 92.08% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 88.10% | 92.86% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.24% | 93.31% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.89% | 91.81% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.38% | 97.29% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 85.22% | 92.12% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.15% | 93.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.14% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.11% | 90.17% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.04% | 82.38% |
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 | 162913158 |
| LOTUS | LTS0223869 |
| wikiData | Q104172059 |