Metatacarboline C
| Internal ID | 3842c4e3-6f72-4f64-9090-dab45eaefb58 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | (2S)-1-[3-[3-[[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl]-9H-pyrido[3,4-b]indol-1-yl]propanoyl]pyrrolidine-2-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H24N4O7/c28-11-17(22(31)32)26-21(30)16-10-13-12-4-1-2-5-14(12)25-20(13)15(24-16)7-8-19(29)27-9-3-6-18(27)23(33)34/h1-2,4-5,10,17-18,25,28H,3,6-9,11H2,(H,26,30)(H,31,32)(H,33,34)/t17-,18-/m0/s1 |
| InChI Key | RTIKBNGBTGXMPZ-ROUUACIJSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C23H24N4O7 |
| Molecular Weight | 468.50 g/mol |
| Exact Mass | 468.16449912 g/mol |
| Topological Polar Surface Area (TPSA) | 173.00 Ų |
| XlogP | 0.70 |
| CHEMBL3786796 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.34% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.30% | 94.45% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 93.21% | 98.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.08% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.67% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.17% | 99.23% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.48% | 99.18% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.17% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.27% | 99.17% |
| CHEMBL1944495 | P28065 | Proteasome subunit beta type-9 | 86.13% | 97.50% |
| CHEMBL1741221 | Q9Y4P1 | Cysteine protease ATG4B | 85.20% | 87.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.76% | 97.09% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.28% | 97.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.78% | 93.56% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.64% | 93.03% |
| CHEMBL5028 | O14672 | ADAM10 | 82.24% | 97.50% |
| CHEMBL4979 | P13866 | Sodium/glucose cotransporter 1 | 81.18% | 98.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.80% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 71578888 |
| LOTUS | LTS0076577 |
| wikiData | Q77624546 |