(4S)-4-(4-hydroxyphenyl)-9-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-1,5,9-triazacyclotridecan-2-one
| Internal ID | ca3a6544-b08f-4894-b560-d137a1ed8a6a |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | (4S)-4-(4-hydroxyphenyl)-9-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-1,5,9-triazacyclotridecan-2-one |
| SMILES (Canonical) | C1CCN(CCCNC(CC(=O)NC1)C2=CC=C(C=C2)O)C(=O)C=CC3=CC=C(C=C3)O |
| SMILES (Isomeric) | C1CCN(CCCN[C@@H](CC(=O)NC1)C2=CC=C(C=C2)O)C(=O)/C=C\C3=CC=C(C=C3)O |
| InChI | InChI=1S/C25H31N3O4/c29-21-9-4-19(5-10-21)6-13-25(32)28-16-2-1-14-27-24(31)18-23(26-15-3-17-28)20-7-11-22(30)12-8-20/h4-13,23,26,29-30H,1-3,14-18H2,(H,27,31)/b13-6-/t23-/m0/s1 |
| InChI Key | APTGQAOJVZBXPO-QFMGALCDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H31N3O4 |
| Molecular Weight | 437.50 g/mol |
| Exact Mass | 437.23145648 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (4S)-4-(4-hydroxyphenyl)-9-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-1,5,9-triazacyclotridecan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4s-4-4-hydroxyphenyl-9-z-3-4-hydroxyphenylprop-2-enoyl-159-triazacyclotridecan-2-one.jpg "2D Structure of (4S)-4-(4-hydroxyphenyl)-9-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-1,5,9-triazacyclotridecan-2-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 | 96.64% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.89% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.53% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.71% | 89.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.04% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.23% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.99% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.57% | 93.99% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.36% | 91.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.72% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.14% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.90% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.75% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.19% | 95.89% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.37% | 90.93% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.85% | 93.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.40% | 90.71% |
| CHEMBL4461 | Q9NTG7 | NAD-dependent deacetylase sirtuin 3 | 81.12% | 94.36% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.88% | 96.39% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.48% | 90.24% |
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.
| Meehania fargesii |
| PubChem | 46211601 |
| LOTUS | LTS0047556 |
| wikiData | Q104916535 |