N-[1-(10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraen-6-yl)-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)propanamide
| Internal ID | 897cc40b-9c51-4b4c-ae93-f9943ebff5a6 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | N-[1-(10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraen-6-yl)-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)propanamide |
| SMILES (Canonical) | CC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)NC=CC3=CC=C(O2)C=C3)CC4=CC=CC=C4)NC(=O)C(C)N(C)C |
| SMILES (Isomeric) | CC(C)C(C(=O)N1CCC2C1C(=O)NC(C(=O)NC=CC3=CC=C(O2)C=C3)CC4=CC=CC=C4)NC(=O)C(C)N(C)C |
| InChI | InChI=1S/C32H41N5O5/c1-20(2)27(35-29(38)21(3)36(4)5)32(41)37-18-16-26-28(37)31(40)34-25(19-23-9-7-6-8-10-23)30(39)33-17-15-22-11-13-24(42-26)14-12-22/h6-15,17,20-21,25-28H,16,18-19H2,1-5H3,(H,33,39)(H,34,40)(H,35,38) |
| InChI Key | OGCOHPMZUTVUAD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H41N5O5 |
| Molecular Weight | 575.70 g/mol |
| Exact Mass | 575.31076943 g/mol |
| Topological Polar Surface Area (TPSA) | 120.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of N-[1-(10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraen-6-yl)-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)propanamide](https://plantaedb.com/storage/docs/compounds/2023/11/f99eee10-8639-11ee-80c1-2785807e4add.jpg "2D Structure of N-[1-(10-benzyl-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.2.2.03,7]nonadeca-1(17),13,15,18-tetraen-6-yl)-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)propanamide")
| 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 | 99.69% | 98.95% |
| CHEMBL4072 | P07858 | Cathepsin B | 97.99% | 93.67% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.88% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 95.81% | 96.61% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.21% | 97.64% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.18% | 85.14% |
| CHEMBL204 | P00734 | Thrombin | 94.06% | 96.01% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.42% | 90.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.33% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.14% | 93.00% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 90.64% | 98.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.97% | 97.25% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 89.29% | 94.66% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.95% | 93.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.43% | 97.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.75% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.68% | 93.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.78% | 91.11% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.47% | 91.19% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.18% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.50% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.93% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.62% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 82.77% | 97.50% |
| CHEMBL2327 | P21452 | Neurokinin 2 receptor | 82.12% | 98.89% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.07% | 88.56% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.82% | 98.59% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.64% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.02% | 94.45% |
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.
| Bonamia spectabilis |
| PubChem | 311952 |
| LOTUS | LTS0149145 |
| wikiData | Q105328615 |