N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
| Internal ID | 6497c701-35c8-442a-8b25-b62749cfd07d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide |
| SMILES (Canonical) | CC(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)N1)CCCN(C(=O)C)O)CCCN(C(=O)C)O)O |
| SMILES (Isomeric) | CC(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)N1)CCCN(C(=O)C)O)CCCN(C(=O)C)O)O |
| InChI | InChI=1S/C27H45N9O12/c1-16(37)34(46)10-4-7-19-25(43)30-14-23(41)28-13-22(40)29-15-24(42)31-20(8-5-11-35(47)17(2)38)26(44)33-21(27(45)32-19)9-6-12-36(48)18(3)39/h19-21,46-48H,4-15H2,1-3H3,(H,28,41)(H,29,40)(H,30,43)(H,31,42)(H,32,45)(H,33,44) |
| InChI Key | ZFDAUYPBCXMSBF-UHFFFAOYSA-N |
| Popularity | 481 references in papers |
| Molecular Formula | C27H45N9O12 |
| Molecular Weight | 687.70 g/mol |
| Exact Mass | 687.31876790 g/mol |
| Topological Polar Surface Area (TPSA) | 296.00 Ų |
| XlogP | -4.70 |
| Desferriferrichrome |
| MEGxm0_000179 |
| ACon0_000366 |
| ACon1_000014 |
| NCGC00168874-01 |
| FT-0666005 |
![2D Structure of N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide](https://plantaedb.com/storage/docs/compounds/2023/11/5e3bbd60-85d8-11ee-ac5b-ffcec8000148.jpg "2D Structure of N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide")
| 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 | 96.51% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.90% | 98.95% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.52% | 90.08% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.40% | 98.59% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.91% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.71% | 91.11% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 89.02% | 95.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.96% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.07% | 97.25% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.95% | 88.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.98% | 95.93% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 81.44% | 97.64% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.17% | 93.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.06% | 95.50% |
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.
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| There are no matching plants. |
| PubChem | 6323327 |
| LOTUS | LTS0148035 |
| wikiData | Q77561210 |