3,6,12-Tribenzyl-1,7-dimethyl-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
| Internal ID | 04fe2482-96e6-44b6-a3b4-52343accd796 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 3,6,12-tribenzyl-1,7-dimethyl-9-propan-2-yl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone |
| SMILES (Canonical) | CC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N1)CC2=CC=CC=C2)C)CC3=CC=CC=C3)CC4=CC=CC=C4)C |
| SMILES (Isomeric) | CC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N1)CC2=CC=CC=C2)C)CC3=CC=CC=C3)CC4=CC=CC=C4)C |
| InChI | InChI=1S/C34H40N4O4/c1-23(2)30-34(42)38(4)28(21-25-16-10-6-11-17-25)31(39)35-27(20-24-14-8-5-9-15-24)33(41)37(3)29(32(40)36-30)22-26-18-12-7-13-19-26/h5-19,23,27-30H,20-22H2,1-4H3,(H,35,39)(H,36,40) |
| InChI Key | YJRWOFGXVILYEW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H40N4O4 |
| Molecular Weight | 568.70 g/mol |
| Exact Mass | 568.30495577 g/mol |
| Topological Polar Surface Area (TPSA) | 98.80 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
| 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 | 99.60% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.51% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.03% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.96% | 85.14% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.86% | 90.08% |
| CHEMBL1949 | P62937 | Cyclophilin A | 88.26% | 98.57% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 87.25% | 97.64% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.25% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.36% | 94.45% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.12% | 93.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.23% | 97.25% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.10% | 98.59% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.04% | 95.93% |
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 | 73000390 |
| LOTUS | LTS0078603 |
| wikiData | Q104201776 |