Tegerrardin A
| Internal ID | e333ce6d-fda5-4ec4-8456-b926bd1e15fc |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones |
| IUPAC Name | 3-hydroxy-1-methoxy-10-methylacridin-9-one |
| SMILES (Canonical) | CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3OC)O |
| SMILES (Isomeric) | CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3OC)O |
| InChI | InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(17)8-13(14)19-2/h3-8,17H,1-2H3 |
| InChI Key | UFEDIXBJQROJES-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H13NO3 |
| Molecular Weight | 255.27 g/mol |
| Exact Mass | 255.08954328 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 2.70 |
| CHEMBL1095073 |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.45% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.99% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.71% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.28% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.96% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.79% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.31% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.27% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.12% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.09% | 91.11% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 89.84% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.28% | 90.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 86.21% | 92.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.92% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.84% | 93.65% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.86% | 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.
| Vepris gerrardii |
| Zanthoxylum leprieurii |
| PubChem | 16220278 |
| NPASS | NPC114039 |
| ChEMBL | CHEMBL1095073 |
| LOTUS | LTS0011378 |
| wikiData | Q105271758 |