Carbamidocyclophane R
| Internal ID | 1a643e0b-7034-4e5c-9dd2-462eb30d0110 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids |
| IUPAC Name | [(2R,3S,8R,13R,14S,19S)-8-(4-bromobutyl)-19-butyl-10,13,21,24,26-pentahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] carbamate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H56BrNO7/c1-4-5-14-25-15-8-6-12-23(2)35(44)27-19-29(40)34(30(41)20-27)26(17-10-11-18-38)16-9-7-13-24(3)36(46-37(39)45)28-21-31(42)33(25)32(43)22-28/h19-26,35-36,40-44H,4-18H2,1-3H3,(H2,39,45)/t23-,24-,25-,26+,35+,36+/m0/s1 |
| InChI Key | ABRCNJSDUYUPRX-YXTQZPCGSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C37H56BrNO7 |
| Molecular Weight | 706.70 g/mol |
| Exact Mass | 705.32402 g/mol |
| Topological Polar Surface Area (TPSA) | 153.00 Ų |
| XlogP | 10.10 |
| DTXSID801046196 |
| 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 | 98.16% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.15% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.56% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.34% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.70% | 97.09% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 94.20% | 96.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.43% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.10% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 90.50% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.64% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.24% | 92.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.47% | 96.95% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.38% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.21% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.06% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.69% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.98% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.91% | 90.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.80% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.05% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.88% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.14% | 89.62% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.07% | 90.24% |
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 | 139590355 |
| LOTUS | LTS0221042 |
| wikiData | Q105091179 |