dimethyl (16R)-11-[(1R)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylate
| Internal ID | 940fcd5a-c6d0-4c29-845d-75e1fef0fd35 |
| Taxonomy | Organic nitrogen compounds > Organonitrogen compounds > Amines > Tertiary amines > Triarylamines |
| IUPAC Name | dimethyl (16R)-11-[(1R)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylate |
| SMILES (Canonical) | CC1C2=C3C(=CC=C2)NC4=C(C=CC=C4N3C5=C1C6=NC7=C(C=CC=C7N=C6C(=C5)C(=O)OC)C(C)O)C(=O)OC |
| SMILES (Isomeric) | C[C@@H]1C2=C3C(=CC=C2)NC4=C(C=CC=C4N3C5=C1C6=NC7=C(C=CC=C7N=C6C(=C5)C(=O)OC)[C@@H](C)O)C(=O)OC |
| InChI | InChI=1S/C32H26N4O5/c1-15-17-8-5-12-22-30(17)36(23-13-7-10-19(27(23)34-22)31(38)40-3)24-14-20(32(39)41-4)28-29(25(15)24)35-26-18(16(2)37)9-6-11-21(26)33-28/h5-16,34,37H,1-4H3/t15-,16-/m1/s1 |
| InChI Key | ZWQICGUFPUFQSL-HZPDHXFCSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C32H26N4O5 |
| Molecular Weight | 546.60 g/mol |
| Exact Mass | 546.19031994 g/mol |
| Topological Polar Surface Area (TPSA) | 114.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of dimethyl (16R)-11-[(1R)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-dicarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/878ffb60-8537-11ee-a710-1f48f5cabc78.jpg "2D Structure of dimethyl (16R)-11-[(1R)-1-hydroxyethyl]-16-methyl-1,6,13,22-tetrazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5,7,9,11,13,17(29),18,20,23,25,27-tridecaene-4,24-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.92% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.47% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.12% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.48% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.46% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.19% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.06% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.25% | 86.33% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.41% | 97.36% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 89.96% | 95.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 89.71% | 93.03% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 88.75% | 95.71% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 88.45% | 96.47% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.35% | 90.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.80% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.79% | 93.56% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.63% | 89.44% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.83% | 92.97% |
| CHEMBL5028 | O14672 | ADAM10 | 83.91% | 97.50% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 82.66% | 95.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.31% | 90.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 81.30% | 85.49% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.25% | 98.05% |
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 | 162876679 |
| LOTUS | LTS0125916 |
| wikiData | Q105385152 |