Chartarutine D
| Internal ID | 2aaa5995-313d-4d0d-9a45-2af88d3bc2ac |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [1-amino-6-hydroxy-5-(3,7,11-trimethyldodeca-2,6,10-trienyl)-3H-isoindol-4-yl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H32N2O5S/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-18-21(26)13-19-20(14-25-23(19)24)22(18)30-31(27,28)29/h7,9,11,13,26H,5-6,8,10,12,14H2,1-4H3,(H2,24,25)(H,27,28,29) |
| InChI Key | ZJFAMUUSIOWHLE-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H32N2O5S |
| Molecular Weight | 448.60 g/mol |
| Exact Mass | 448.20319330 g/mol |
| Topological Polar Surface Area (TPSA) | 131.00 Ų |
| XlogP | 4.80 |
| 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 | 95.72% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.26% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.97% | 94.73% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 92.59% | 92.68% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.58% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.70% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.97% | 92.08% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 86.43% | 95.69% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.70% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.62% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 84.96% | 93.10% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 84.81% | 96.90% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 82.89% | 97.88% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.20% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.28% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.79% | 96.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.15% | 91.49% |
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 | 139587625 |
| LOTUS | LTS0038111 |
| wikiData | Q77570663 |