bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (1S)-4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate
| Internal ID | 6ac06580-6e45-4cf0-9717-4b2361a63096 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthalenecarboxylic acids and derivatives |
| IUPAC Name | bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (1S)-4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate |
| SMILES (Canonical) | CN1C2CCC1CC(C2)OC(=O)C3CCC(C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6CC7CCC(C6)N7C |
| SMILES (Isomeric) | CN1C2CCC1CC(C2)OC(=O)[C@H]3CCC(C4=CC=CC=C34)(C5=CC=CC=C5)C(=O)OC6CC7CCC(C6)N7C |
| InChI | InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3/t23?,24?,25?,26?,27?,28?,30-,34?/m0/s1 |
| InChI Key | GERIGMSHTUAXSI-YJRMYWFWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H42N2O4 |
| Molecular Weight | 542.70 g/mol |
| Exact Mass | 542.31445783 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 6.00 |
| There are no found synonyms. |
![2D Structure of bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (1S)-4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/791eecd0-84fc-11ee-b08d-d317ea29669b.jpg "2D Structure of bis(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (1S)-4-phenyl-2,3-dihydro-1H-naphthalene-1,4-dicarboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 98.92% | 94.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 98.70% | 94.62% |
| CHEMBL238 | Q01959 | Dopamine transporter | 97.92% | 95.88% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 97.77% | 94.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.69% | 96.09% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 93.28% | 94.97% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.79% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.52% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.43% | 91.11% |
| CHEMBL5028 | O14672 | ADAM10 | 87.64% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.86% | 97.09% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.61% | 93.67% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.31% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.24% | 90.00% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 83.41% | 97.53% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.35% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.61% | 100.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.54% | 90.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.25% | 82.69% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.88% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.86% | 95.89% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 80.80% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.12% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.05% | 99.23% |
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.
| Physochlaina alaica |
| PubChem | 101614997 |
| LOTUS | LTS0185227 |
| wikiData | Q105007295 |