4-hydroxy-N-[(3S,5R)-3-[(4-hydroxyphenyl)methyl]-2-oxo-1,4-diazocan-5-yl]benzamide
| Internal ID | 461d8aed-6ac5-46bd-a7b5-72d8a409368f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives |
| IUPAC Name | 4-hydroxy-N-[(3S,5R)-3-[(4-hydroxyphenyl)methyl]-2-oxo-1,4-diazocan-5-yl]benzamide |
| SMILES (Canonical) | C1CC(NC(C(=O)NC1)CC2=CC=C(C=C2)O)NC(=O)C3=CC=C(C=C3)O |
| SMILES (Isomeric) | C1C[C@H](N[C@H](C(=O)NC1)CC2=CC=C(C=C2)O)NC(=O)C3=CC=C(C=C3)O |
| InChI | InChI=1S/C20H23N3O4/c24-15-7-3-13(4-8-15)12-17-20(27)21-11-1-2-18(22-17)23-19(26)14-5-9-16(25)10-6-14/h3-10,17-18,22,24-25H,1-2,11-12H2,(H,21,27)(H,23,26)/t17-,18+/m0/s1 |
| InChI Key | ZKWVAKMBYOHWJH-ZWKOTPCHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H23N3O4 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.16885622 g/mol |
| Topological Polar Surface Area (TPSA) | 111.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 4-hydroxy-N-[(3S,5R)-3-[(4-hydroxyphenyl)methyl]-2-oxo-1,4-diazocan-5-yl]benzamide](https://plantaedb.com/storage/docs/compounds/2023/11/4-hydroxy-n-3s5r-3-4-hydroxyphenylmethyl-2-oxo-14-diazocan-5-ylbenzamide.jpg "2D Structure of 4-hydroxy-N-[(3S,5R)-3-[(4-hydroxyphenyl)methyl]-2-oxo-1,4-diazocan-5-yl]benzamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.27% | 97.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.23% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.94% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.55% | 93.10% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.35% | 97.25% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 90.81% | 96.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.65% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.12% | 96.09% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 89.82% | 89.67% |
| CHEMBL268 | P43235 | Cathepsin K | 88.98% | 96.85% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 88.48% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.96% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.85% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.00% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.98% | 99.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.14% | 100.00% |
| CHEMBL3230 | O95977 | Sphingosine 1-phosphate receptor Edg-6 | 83.07% | 94.01% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.93% | 85.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.80% | 94.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.66% | 95.93% |
| CHEMBL4531 | P17931 | Galectin-3 | 82.65% | 96.90% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.13% | 90.08% |
| CHEMBL5261 | Q7L7X3 | Serine/threonine-protein kinase TAO1 | 81.81% | 89.33% |
| CHEMBL1293287 | P14735 | Insulin-degrading enzyme | 81.00% | 88.10% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.91% | 90.00% |
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.
| Corydalis turtschaninovii |
| PubChem | 101562583 |
| LOTUS | LTS0174849 |
| wikiData | Q105378784 |