2-[(3S)-3-chloro-3-[(2S,5Z)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]guanidine
| Internal ID | ee4a5632-4956-4e11-b035-96c5db6a6c32 |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | 2-[(3S)-3-chloro-3-[(2S,5Z)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]guanidine |
| SMILES (Canonical) | COC1=C(C=C(C=C1Br)C=C2C(=O)NC(O2)C(CCN=C(N)N)Cl)Br |
| SMILES (Isomeric) | COC1=C(C=C(C=C1Br)/C=C\2/C(=O)N[C@@H](O2)[C@H](CCN=C(N)N)Cl)Br |
| InChI | InChI=1S/C15H17Br2ClN4O3/c1-24-12-8(16)4-7(5-9(12)17)6-11-13(23)22-14(25-11)10(18)2-3-21-15(19)20/h4-6,10,14H,2-3H2,1H3,(H,22,23)(H4,19,20,21)/b11-6-/t10-,14-/m0/s1 |
| InChI Key | MAFCLHRCIOQMGL-NBYYAFJUSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C15H17Br2ClN4O3 |
| Molecular Weight | 496.60 g/mol |
| Exact Mass | 495.93354 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 2-[(3S)-3-chloro-3-[(2S,5Z)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]guanidine](https://plantaedb.com/storage/docs/compounds/2023/11/8e3a7970-81da-11ee-b473-379e2911b5f8.jpg "2D Structure of 2-[(3S)-3-chloro-3-[(2S,5Z)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-4-oxo-1,3-oxazolidin-2-yl]propyl]guanidine")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.16% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.58% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.34% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.14% | 89.34% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.99% | 95.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 89.76% | 92.88% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.43% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.28% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.98% | 99.17% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.94% | 83.82% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 86.90% | 83.57% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.87% | 97.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.61% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.13% | 86.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.08% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.81% | 90.71% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.78% | 96.61% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.74% | 94.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.44% | 93.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.55% | 98.75% |
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.
| Luxemburgia nobilis |
| Polyspora dassanayakei |
| Stereospermum acuminatissimum |
| PubChem | 49845925 |
| LOTUS | LTS0225173 |
| wikiData | Q27258788 |