Stellarine B
| Internal ID | e5f87622-98bd-4356-ae34-e0ab4252fd35 |
| Taxonomy | Alkaloids and derivatives > Harmala alkaloids |
| IUPAC Name | methyl (Z)-3-[(1-acetyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]prop-2-enoate |
| SMILES (Canonical) | CC(=O)C1=C2C(=CC(=N1)C(=O)NC=CC(=O)OC)C3=CC=CC=C3N2 |
| SMILES (Isomeric) | CC(=O)C1=C2C(=CC(=N1)C(=O)N/C=C\C(=O)OC)C3=CC=CC=C3N2 |
| InChI | InChI=1S/C18H15N3O4/c1-10(22)16-17-12(11-5-3-4-6-13(11)20-17)9-14(21-16)18(24)19-8-7-15(23)25-2/h3-9,20H,1-2H3,(H,19,24)/b8-7- |
| InChI Key | UJECFLWSXCNVMR-FPLPWBNLSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H15N3O4 |
| Molecular Weight | 337.30 g/mol |
| Exact Mass | 337.10625597 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 2.50 |
| CHEBI:70225 |
| Stellarines B |
| Dichotomide II |
| CHEMBL1651331 |
| Q27138565 |
| 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 | 96.63% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.22% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.86% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.61% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.73% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.45% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.12% | 99.23% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 85.29% | 89.44% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.12% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.58% | 98.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.52% | 91.49% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.39% | 98.59% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.20% | 98.95% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.35% | 97.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.11% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.29% | 94.00% |
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.
| Stellaria dichotoma |
| PubChem | 53322155 |
| NPASS | NPC79356 |
| ChEMBL | CHEMBL1651331 |
| LOTUS | LTS0262560 |
| wikiData | Q27138565 |