Columbamine
| Internal ID | 84579d97-09d0-4409-9d5a-9f1d10ef32e4 |
| Taxonomy | Alkaloids and derivatives > Protoberberine alkaloids and derivatives |
| IUPAC Name | 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol |
| SMILES (Canonical) | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC |
| SMILES (Isomeric) | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)O)OC |
| InChI | InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1 |
| InChI Key | YYFOFDHQVIODOQ-UHFFFAOYSA-O |
| Popularity | 65 references in papers |
| Molecular Formula | C20H20NO4+ |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.13923312 g/mol |
| Topological Polar Surface Area (TPSA) | 51.80 Ų |
| XlogP | 3.40 |
| 3621-36-1 |
| Dehydroisocorypalmine |
| UNII-7T4808FEJW |
| 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol |
| 7T4808FEJW |
| CHEMBL400345 |
| Columbamin;Dehydroisocorypalmine |
| CHEBI:15920 |
| Dibenzo(a,g)quinolizinium, 5,6-dihydro-2-hydroxy-3,9,10-trimethoxy- |
| 2-hydroxy-3,9,10-trimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium |
| 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 |
|---|---|---|---|---|---|
| CHEMBL340 | P08684 | Cytochrome P450 3A4 |
30600 nM |
IC50 |
PMID: 17994701
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.14% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.68% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.88% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.36% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.94% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.78% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.82% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.69% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.87% | 96.09% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 88.06% | 95.12% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.43% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.85% | 86.33% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 85.81% | 91.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.24% | 94.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.80% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.09% | 99.17% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.79% | 96.09% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 81.45% | 96.76% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.45% | 88.48% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.10% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.79% | 95.89% |
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.
| PubChem | 72310 |
| NPASS | NPC202605 |
| ChEMBL | CHEMBL400345 |
| LOTUS | LTS0111553 |
| wikiData | Q27098298 |