3-Benzyl-9-(6,7-dihydroxyoctyl)-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
| Internal ID | 973bc541-0168-4383-b262-a00bf36897ea |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | 3-benzyl-9-(6,7-dihydroxyoctyl)-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H42N4O6/c1-18(33)23(34)15-9-5-8-13-20-24(35)31-28(2,3)27(38)30-21(17-19-11-6-4-7-12-19)26(37)32-16-10-14-22(32)25(36)29-20/h4,6-7,11-12,18,20-23,33-34H,5,8-10,13-17H2,1-3H3,(H,29,36)(H,30,38)(H,31,35) |
| InChI Key | NAOMMKDKLCMCHA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H42N4O6 |
| Molecular Weight | 530.70 g/mol |
| Exact Mass | 530.31043507 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 3-Benzyl-9-(6,7-dihydroxyoctyl)-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/8de18d20-8736-11ee-a3aa-8f3d18baadd5.jpg "2D Structure of 3-Benzyl-9-(6,7-dihydroxyoctyl)-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone")
| 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 | 99.78% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 99.48% | 92.97% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.12% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.65% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.21% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.43% | 91.11% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.18% | 97.64% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 94.08% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.77% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 93.15% | 82.38% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.91% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.90% | 94.45% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.23% | 97.05% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 92.18% | 96.47% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 91.97% | 95.92% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.90% | 83.82% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 90.42% | 93.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.69% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.22% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.71% | 93.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.22% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.16% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.85% | 86.33% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.06% | 88.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.33% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.28% | 90.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.96% | 97.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.52% | 93.99% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.28% | 95.89% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 80.14% | 92.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 9893227 |
| LOTUS | LTS0121187 |
| wikiData | Q104172231 |