1-[(2R,5R)-2-benzyl-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethanone
Internal ID | 23dddb59-db09-4e7c-bcb6-d4e665f3a6b4 |
Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
IUPAC Name | 1-[(2R,5R)-2-benzyl-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethanone |
SMILES (Canonical) | CC(=O)N1CC(NCC1CC2=CC=CC=C2)CC3=CC4=C(C(=C3)OC)OCO4 |
SMILES (Isomeric) | CC(=O)N1C[C@H](NC[C@H]1CC2=CC=CC=C2)CC3=CC4=C(C(=C3)OC)OCO4 |
InChI | InChI=1S/C22H26N2O4/c1-15(25)24-13-18(23-12-19(24)9-16-6-4-3-5-7-16)8-17-10-20(26-2)22-21(11-17)27-14-28-22/h3-7,10-11,18-19,23H,8-9,12-14H2,1-2H3/t18-,19-/m1/s1 |
InChI Key | AZQJCMKZNJKNSU-RTBURBONSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H26N2O4 |
Molecular Weight | 382.50 g/mol |
Exact Mass | 382.18925731 g/mol |
Topological Polar Surface Area (TPSA) | 60.00 Ų |
XlogP | 2.90 |
There are no found synonyms. |
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 | 99.16% | 96.09% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.81% | 83.82% |
CHEMBL2581 | P07339 | Cathepsin D | 98.53% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.54% | 94.45% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.17% | 96.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.86% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.32% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.91% | 86.33% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.98% | 92.62% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.74% | 95.89% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.75% | 99.17% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.52% | 97.14% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.67% | 85.14% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.00% | 95.50% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.52% | 89.00% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.51% | 93.99% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.92% | 97.21% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.49% | 91.19% |
CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.87% | 93.00% |
CHEMBL2327 | P21452 | Neurokinin 2 receptor | 80.71% | 98.89% |
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.
Lilium lancifolium |
PubChem | 162978355 |
LOTUS | LTS0097220 |
wikiData | Q104963961 |