5-(Diaminomethylideneamino)pentyl 9-amino-7-undecyl-1-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylate
| Internal ID | d77201bc-6555-474d-98cf-0a49e0abbad5 |
| Taxonomy | Organoheterocyclic compounds > Diazinanes |
| IUPAC Name | 5-(diaminomethylideneamino)pentyl 9-amino-7-undecyl-1-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H48N6O3/c1-2-3-4-5-6-7-8-9-11-15-20-21(25(16-14-19-34-25)31-24(28)30-20)22(32)33-18-13-10-12-17-29-23(26)27/h20-21H,2-19H2,1H3,(H4,26,27,29)(H3,28,30,31) |
| InChI Key | IYTLITMPOLVVNA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H48N6O3 |
| Molecular Weight | 480.70 g/mol |
| Exact Mass | 480.37878941 g/mol |
| Topological Polar Surface Area (TPSA) | 150.00 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 5-(Diaminomethylideneamino)pentyl 9-amino-7-undecyl-1-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/b811bd60-8361-11ee-bb91-ff79362cffda.jpg "2D Structure of 5-(Diaminomethylideneamino)pentyl 9-amino-7-undecyl-1-oxa-8,10-diazaspiro[4.5]dec-8-ene-6-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.32% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.40% | 94.45% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 96.40% | 90.24% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 96.10% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.34% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.80% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.80% | 97.09% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 89.55% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.13% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.12% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.13% | 86.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.02% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.44% | 97.79% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 84.04% | 91.81% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 83.79% | 97.28% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 83.27% | 96.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.20% | 96.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.46% | 98.95% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.60% | 98.59% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.03% | 90.71% |
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 | 14846194 |
| LOTUS | LTS0010262 |
| wikiData | Q105122970 |