5-O-methyl 1-O-(3,7,11-trimethyldodeca-2,6,10-trienyl) (2S)-2-[5,7-dihydroxy-3-oxo-6-(3,7,11-trimethyldodeca-2,6,10-trienoxy)-1H-isoindol-2-yl]pentanedioate
| Internal ID | 5a6dc6d4-ed9f-4754-a9d9-5a46c6b1ae3e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Glutamic acid and derivatives |
| IUPAC Name | 5-O-methyl 1-O-(3,7,11-trimethyldodeca-2,6,10-trienyl) (2S)-2-[5,7-dihydroxy-3-oxo-6-(3,7,11-trimethyldodeca-2,6,10-trienoxy)-1H-isoindol-2-yl]pentanedioate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H63NO8/c1-30(2)14-10-16-32(5)18-12-20-34(7)24-26-52-42-39(46)28-36-37(41(42)48)29-45(43(36)49)38(22-23-40(47)51-9)44(50)53-27-25-35(8)21-13-19-33(6)17-11-15-31(3)4/h14-15,18-19,24-25,28,38,46,48H,10-13,16-17,20-23,26-27,29H2,1-9H3/t38-/m0/s1 |
| InChI Key | SWIJZLDGQRZASW-LHEWISCISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C44H63NO8 |
| Molecular Weight | 734.00 g/mol |
| Exact Mass | 733.45536797 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | 10.80 |
| There are no found synonyms. |
![2D Structure of 5-O-methyl 1-O-(3,7,11-trimethyldodeca-2,6,10-trienyl) (2S)-2-[5,7-dihydroxy-3-oxo-6-(3,7,11-trimethyldodeca-2,6,10-trienoxy)-1H-isoindol-2-yl]pentanedioate](https://plantaedb.com/storage/docs/compounds/2023/11/397444f0-85c6-11ee-9c5a-6758bfc2ebf3.jpg "2D Structure of 5-O-methyl 1-O-(3,7,11-trimethyldodeca-2,6,10-trienyl) (2S)-2-[5,7-dihydroxy-3-oxo-6-(3,7,11-trimethyldodeca-2,6,10-trienoxy)-1H-isoindol-2-yl]pentanedioate")
| 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 | 99.00% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.43% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.99% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.19% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.90% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 92.23% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.83% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.66% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.74% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.90% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.47% | 94.73% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.44% | 94.33% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.07% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.93% | 98.75% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.13% | 91.19% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.13% | 99.15% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 83.78% | 92.08% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.47% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.34% | 91.07% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.02% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.59% | 99.23% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.41% | 96.90% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.91% | 95.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 80.02% | 93.10% |
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 | 139587842 |
| LOTUS | LTS0037662 |
| wikiData | Q77625171 |