Carbamidocyclophane D
| Internal ID | 657f78d1-5bc9-4f74-92fd-23cd9205150f |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids |
| IUPAC Name | [(2R,3S,13R,14S)-8-butyl-13-carbamoyloxy-19-(4-chlorobutyl)-10,21,24,26-tetrahydroxy-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/C38H57ClN2O8/c1-4-5-14-25-15-8-6-12-23(2)36(49-38(41)47)28-21-31(44)34(32(45)22-28)26(17-10-11-18-39)16-9-7-13-24(3)35(48-37(40)46)27-19-29(42)33(25)30(43)20-27/h19-26,35-36,42-45H,4-18H2,1-3H3,(H2,40,46)(H2,41,47)/t23-,24-,25?,26?,35+,36+/m0/s1 |
| InChI Key | YSZWKXRRCFZDNI-MJVHAFATSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C38H57ClN2O8 |
| Molecular Weight | 705.30 g/mol |
| Exact Mass | 704.3803445 g/mol |
| Topological Polar Surface Area (TPSA) | 186.00 Ų |
| XlogP | 9.90 |
| DTXSID701334017 |
| 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 | 98.90% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.78% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.57% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.42% | 92.94% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.67% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.22% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.08% | 99.17% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.71% | 96.21% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.06% | 97.25% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 88.97% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.74% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.26% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.37% | 93.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.32% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.20% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.13% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.96% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.84% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.92% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.34% | 89.00% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 80.25% | 97.53% |
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 | 16216031 |
| LOTUS | LTS0164927 |
| wikiData | Q105361211 |