Phaitanthrins B
| Internal ID | d2d73eaf-73a5-40d9-b6c3-223174d9cefc |
| Taxonomy | Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines > Indoloquinazolines |
| IUPAC Name | methyl 2-(6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl)acetate |
| SMILES (Canonical) | COC(=O)CC1(C2=CC=CC=C2N3C1=NC4=CC=CC=C4C3=O)O |
| SMILES (Isomeric) | COC(=O)CC1(C2=CC=CC=C2N3C1=NC4=CC=CC=C4C3=O)O |
| InChI | InChI=1S/C18H14N2O4/c1-24-15(21)10-18(23)12-7-3-5-9-14(12)20-16(22)11-6-2-4-8-13(11)19-17(18)20/h2-9,23H,10H2,1H3 |
| InChI Key | CGMNLIDQBYRXFP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H14N2O4 |
| Molecular Weight | 322.30 g/mol |
| Exact Mass | 322.09535693 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 1.80 |
| CHEMBL452546 |
| methyl 2-(6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl)acetate |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.89% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.14% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.84% | 83.82% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.45% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.92% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.69% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.20% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.92% | 95.56% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 91.10% | 92.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.07% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.40% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.31% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.18% | 96.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.20% | 97.00% |
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.
| Phaius mishmensis |
| PubChem | 24970643 |
| LOTUS | LTS0207862 |
| wikiData | Q104957877 |