5-(3,7-dimethylocta-2,6-dienyl)-4-hydroxy-6-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one
| Internal ID | bef6155d-c896-43b0-be25-dee5a798da8f |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | 5-(3,7-dimethylocta-2,6-dienyl)-4-hydroxy-6-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H33NO3/c1-19(2)9-8-10-20(3)13-14-22-25(31-4)17-23-24(26(22)29)18-28(27(23)30)16-15-21-11-6-5-7-12-21/h5-7,9,11-13,17,29H,8,10,14-16,18H2,1-4H3 |
| InChI Key | AYUFSIRZXDWSDR-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C27H33NO3 |
| Molecular Weight | 419.60 g/mol |
| Exact Mass | 419.24604391 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 6.30 |
| CHEBI:204343 |
| 5-(3,7-dimethylocta-2,6-dienyl)-4-hydroxy-6-methoxy-2-(2-phenylethyl)-3H-isoindol-1-one |
| 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 | 99.17% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.38% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.15% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.10% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.62% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.47% | 92.08% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.01% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.60% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.40% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.18% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.02% | 93.99% |
| CHEMBL240 | Q12809 | HERG | 83.29% | 89.76% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 81.69% | 95.17% |
| CHEMBL1795185 | Q58F21 | Bromodomain testis-specific protein | 81.45% | 89.76% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.39% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.89% | 95.50% |
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.
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| There are no matching plants. |
| PubChem | 76512894 |
| LOTUS | LTS0128215 |
| wikiData | Q77385258 |