Eschscholtzidine
| Internal ID | 38dc231c-8ad2-44ee-ae1a-92317b10d321 |
| Taxonomy | Alkaloids and derivatives > Pavine alkaloids |
| IUPAC Name | (1S,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene |
| SMILES (Canonical) | CN1C2CC3=CC4=C(C=C3C1CC5=CC(=C(C=C25)OC)OC)OCO4 |
| SMILES (Isomeric) | CN1[C@H]2CC3=CC4=C(C=C3[C@@H]1CC5=CC(=C(C=C25)OC)OC)OCO4 |
| InChI | InChI=1S/C20H21NO4/c1-21-15-5-12-7-19-20(25-10-24-19)9-14(12)16(21)4-11-6-17(22-2)18(23-3)8-13(11)15/h6-9,15-16H,4-5,10H2,1-3H3/t15-,16-/m0/s1 |
| InChI Key | YTZIQRTXKBDFKM-HOTGVXAUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H21NO4 |
| Molecular Weight | 339.40 g/mol |
| Exact Mass | 339.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 3.10 |
| 6451-67-8 |
| CHEBI:4850 |
| (5S)-5,6,11,12-Tetrahydro-8,9-dimethoxy-14-methyl-benzo[5,6]cycloocta[1,2-f]-1,3-benzodioxol-5,11-imine |
| (5S,11S)-8,9-dimethoxy-14-methyl-5,6,11,12-tetrahydro-5,11-epiminobenzo[5',6']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole |
| C09426 |
| CHEMBL1621815 |
| SCHEMBL14886118 |
| DTXSID30983079 |
| Q27106505 |
| (1S,12S)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.73% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.75% | 89.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.40% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.23% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.02% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.94% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.86% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.79% | 94.45% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 87.44% | 96.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.99% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.27% | 95.56% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 85.77% | 80.96% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.56% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.19% | 89.50% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.79% | 82.67% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 83.62% | 99.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.63% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.12% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.95% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.24% | 97.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.23% | 91.11% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.93% | 90.71% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.78% | 100.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.36% | 88.48% |
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.
| Cryptocarya chinensis |
| Eschscholzia californica |
| Thalictrum minus |
| Thalictrum revolutum |
| PubChem | 442222 |
| LOTUS | LTS0209977 |
| wikiData | Q27106505 |