Harmic Acid Methyl Ester
| Internal ID | 74a25931-1522-4be5-962c-fd9429535d60 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | methyl 7-methoxy-9H-pyrido[3,4-b]indole-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H12N2O3/c1-18-8-3-4-9-10-5-6-15-13(14(17)19-2)12(10)16-11(9)7-8/h3-7,16H,1-2H3 |
| InChI Key | GGTFWDPYRXONGD-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C14H12N2O3 |
| Molecular Weight | 256.26 g/mol |
| Exact Mass | 256.08479225 g/mol |
| Topological Polar Surface Area (TPSA) | 64.20 Ų |
| XlogP | 2.50 |
| METHYL 7-METHOXY-9H-PYRIDO[3,4-B]INDOLE-1-CARBOXYLATE |
| methyl 7-methoxy-9H-pyrido(3,4-b)indole-1-carboxylate |
| Methyl 7-methoxy-9H-pyrido(3,4-b)indole-1-carboxylic acid |
| Methyl 7-methoxy-9H-pyrido[3,4-b]indole-1-carboxylic acid |
| RefChem:145269 |
| 57498-79-0 |
| CHEMBL1957116 |
| SCHEMBL25294090 |
| DTXSID90725417 |
| 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 |
|---|---|---|---|---|
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 98.97% | 93.24% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.39% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.35% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.80% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.58% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.82% | 94.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.74% | 85.30% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 91.66% | 96.47% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 91.40% | 92.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.73% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.27% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.95% | 98.75% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.20% | 94.80% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 87.62% | 97.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.14% | 98.59% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.36% | 86.92% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.37% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.96% | 96.00% |
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.
| Banisteriopsis caapi |
| Trigonostemon bonianus |
| PubChem | 57391302 |
| LOTUS | LTS0221199 |
| wikiData | Q82665897 |