Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate
| Internal ID | 852a6285-1ef8-4871-b40a-671353b28e16 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | methyl 1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H14N2O4/c1-23-18(22)14-8-12-11-4-2-3-5-13(11)19-16(12)17(20-14)15-7-6-10(9-21)24-15/h2-8,19,21H,9H2,1H3 |
| InChI Key | BQMIHWBNJGZYRR-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C18H14N2O4 |
| Molecular Weight | 322.30 g/mol |
| Exact Mass | 322.09535693 g/mol |
| Topological Polar Surface Area (TPSA) | 88.40 Ų |
| XlogP | 2.40 |
| Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate |
| methyl 1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate |
| Flazin, methyl ester |
| DTXSID50418833 |
| BQMIHWBNJGZYRR-UHFFFAOYSA-N |
| Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate # |
![2D Structure of Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-1-5-hydroxymethyl-2-furyl-9h-beta-carboline-3-carboxylate.jpg "2D Structure of Methyl 1-[5-(hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylate")
| 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 | 97.30% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.47% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.83% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.31% | 94.45% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 90.12% | 97.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.85% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.66% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.52% | 94.73% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.05% | 98.59% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.43% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.42% | 86.33% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.03% | 86.92% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.12% | 85.14% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.90% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.64% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.20% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.77% | 95.50% |
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.
| There are no matching plants. |
| PubChem | 5378968 |
| LOTUS | LTS0097991 |
| wikiData | Q82229532 |