18-Benzyl-5,14-dihydroxy-9,15,16-trimethyl-19-azatricyclo[11.7.0.01,17]icosa-3,11,15-triene-2,20-dione
| Internal ID | 58ff66a9-9beb-4733-ac28-f1e243324e93 |
| Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
| IUPAC Name | 18-benzyl-5,14-dihydroxy-9,15,16-trimethyl-19-azatricyclo[11.7.0.01,17]icosa-3,11,15-triene-2,20-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H37NO4/c1-18-9-7-13-22(31)15-16-25(32)29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18,22-24,26-27,31,33H,7,9-10,13,17H2,1-3H3,(H,30,34) |
| InChI Key | KQFLVQIYZGNZGX-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H37NO4 |
| Molecular Weight | 463.60 g/mol |
| Exact Mass | 463.27225866 g/mol |
| Topological Polar Surface Area (TPSA) | 86.60 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 18-Benzyl-5,14-dihydroxy-9,15,16-trimethyl-19-azatricyclo[11.7.0.01,17]icosa-3,11,15-triene-2,20-dione](https://plantaedb.com/storage/docs/compounds/2023/11/04bb68d0-83fa-11ee-bbdb-33e4188083dc.jpg "2D Structure of 18-Benzyl-5,14-dihydroxy-9,15,16-trimethyl-19-azatricyclo[11.7.0.01,17]icosa-3,11,15-triene-2,20-dione")
| 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 | 99.32% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.41% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.66% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.45% | 91.11% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 89.78% | 97.64% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 88.59% | 96.25% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.46% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.79% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.79% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.67% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.52% | 93.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.56% | 85.14% |
| CHEMBL1944 | P08473 | Neprilysin | 83.16% | 92.63% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.67% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.16% | 93.99% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.58% | 97.05% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.22% | 90.00% |
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.
| Pistacia atlantica |
| PubChem | 72664513 |
| LOTUS | LTS0123844 |
| wikiData | Q105237368 |