4,5-dioxo-1H,4H,5H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
AlkaPlorer ID: AK083184
Synonym: None
IUPAC Name: 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
Structure
SMILES: O=C(O)C1=CC(C(=O)O)=C2C(=N1)C(=O)C(=O)C1=C2NC(C(=O)O)=C1
InChI: InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
InChIKey: MMXZSJMASHPLLR-UHFFFAOYSA-N
Reference
L‐tyrosine is the precursor of PQQ biosynthesis in <i>Hyphomicrobium</i> X
PubChem CID: 1024
CAS: 72909-34-3
LOTUS: LTS0120678
COCONUT: CNP0253018
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Hyphomicrobiaceae | Hyphomicrobiales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 330.208
TPSA？: 174.71999999999997
MolLogP？: 0.5503
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | nan | None | 10.1016/j.ejmech.2014.05.043 |
| Homo sapiens | A549 | IC50 | 750100.0 | nM | 10.1016/j.ejmech.2014.05.043 |
| Homo sapiens | G-protein coupled receptor 35 | EC50 | 71.0 | nM | 10.1021/acs.jmedchem.0c01624 |
| Homo sapiens | G-protein coupled receptor 35 | IC50 | 30.0 | nM | 10.1021/acs.jmedchem.0c01624 |
| Homo sapiens | G-protein coupled receptor 35 | IC50 | 582.0 | nM | 10.1021/acs.jmedchem.0c01624 |
| Homo sapiens | G-protein coupled receptor 35 | Ki | 332.0 | nM | 10.1021/acsmedchemlett.2c00461 |
| Homo sapiens | HepG2 | IC50 | 45710.0 | nM | 10.1016/j.ejmech.2014.05.043 |
| Homo sapiens | MCF7 | IC50 | 25480.0 | nM | 10.1016/j.ejmech.2014.05.043 |