trans-N-Methylcorypalmine
| Internal ID | da26962d-d7ff-4c0c-9cd6-680acf57451e |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | (13aR)-2,3,9,10-tetramethoxy-7-oxido-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium |
| SMILES (Canonical) | COC1=C(C2=C(CC3C4=CC(=C(C=C4CC[N+]3(C2)[O-])OC)OC)C=C1)OC |
| SMILES (Isomeric) | COC1=C(C2=C(C[C@@H]3C4=CC(=C(C=C4CC[N+]3(C2)[O-])OC)OC)C=C1)OC |
| InChI | InChI=1S/C21H25NO5/c1-24-18-6-5-13-9-17-15-11-20(26-3)19(25-2)10-14(15)7-8-22(17,23)12-16(13)21(18)27-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-,22?/m1/s1 |
| InChI Key | QYEMUDHNCZHUKC-PLEWWHCXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H25NO5 |
| Molecular Weight | 371.40 g/mol |
| Exact Mass | 371.17327290 g/mol |
| Topological Polar Surface Area (TPSA) | 55.00 Ų |
| XlogP | 2.70 |
| 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 | 95.88% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.25% | 83.82% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.03% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.20% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.72% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.02% | 98.75% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.25% | 95.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.63% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.50% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.82% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.86% | 99.17% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.81% | 91.00% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 85.24% | 95.12% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.95% | 89.62% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.65% | 96.76% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 82.92% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.67% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.46% | 93.40% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.13% | 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.
| Berberis iliensis |
| PubChem | 163184378 |
| LOTUS | LTS0046600 |
| wikiData | Q105230077 |