(8R)-8-[(13R)-13-hydroxyhexadecyl]-1,5,9,13-tetrazacycloheptadecan-6-one
| Internal ID | de67c4fb-a06e-411d-ab2f-7fa840da088b |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (8R)-8-[(13R)-13-hydroxyhexadecyl]-1,5,9,13-tetrazacycloheptadecan-6-one |
| SMILES (Canonical) | CCCC(CCCCCCCCCCCCC1CC(=O)NCCCNCCCCNCCCN1)O |
| SMILES (Isomeric) | CCC[C@H](CCCCCCCCCCCC[C@@H]1CC(=O)NCCCNCCCCNCCCN1)O |
| InChI | InChI=1S/C29H60N4O2/c1-2-17-28(34)19-12-10-8-6-4-3-5-7-9-11-18-27-26-29(35)33-25-16-23-31-21-14-13-20-30-22-15-24-32-27/h27-28,30-32,34H,2-26H2,1H3,(H,33,35)/t27-,28-/m1/s1 |
| InChI Key | KTVPQZMXCITCLI-VSGBNLITSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H60N4O2 |
| Molecular Weight | 496.80 g/mol |
| Exact Mass | 496.47162717 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of (8R)-8-[(13R)-13-hydroxyhexadecyl]-1,5,9,13-tetrazacycloheptadecan-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/8r-8-13r-13-hydroxyhexadecyl-15913-tetrazacycloheptadecan-6-one.jpg "2D Structure of (8R)-8-[(13R)-13-hydroxyhexadecyl]-1,5,9,13-tetrazacycloheptadecan-6-one")
| 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 | 99.26% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.81% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.73% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.81% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.44% | 91.11% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.61% | 90.08% |
| CHEMBL228 | P31645 | Serotonin transporter | 88.70% | 95.51% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.57% | 97.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.32% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.96% | 90.71% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 87.00% | 92.88% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 86.90% | 83.82% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.73% | 97.29% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.38% | 93.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.74% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.44% | 100.00% |
| CHEMBL4105838 | Q96GG9 | DCN1-like protein 1 | 85.37% | 95.00% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.05% | 98.03% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.68% | 94.75% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.06% | 95.92% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 82.25% | 94.55% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 81.85% | 95.93% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 80.39% | 97.63% |
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.
| Albizia adinocephala |
| Albizia lebbeck |
| PubChem | 163104790 |
| LOTUS | LTS0174519 |
| wikiData | Q105145988 |