3,4-Dihydro-6,7-dihydroxy-3-isoquinolinecarboxylic acid; (S)-form
AlkaPlorer ID: AK295712
Synonym: None
IUPAC Name: 6,7-dihydroxy-3,4-dihydroisoquinoline-3-carboxylic acid
Structure
SMILES: O=C(O)C1CC2=CC(O)=C(O)C=C2C=N1
InChI: InChI=1S/C10H9NO4/c12-8-2-5-1-7(10(14)15)11-4-6(5)3-9(8)13/h2-4,7,12-13H,1H2,(H,14,15)
InChIKey: UHZXHQGXRJYUNM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. 8812 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 207.185
TPSA？: 90.12
MolLogP？: 0.5259999999999998
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | GI | nan | None | 10.1016/j.bmc.2016.08.054 |
| Homo sapiens | HL60/MX2 | GI | nan | None | 10.1016/j.bmc.2016.08.054 |
| Homo sapiens | MCF10 | IC50 | nan | None | 10.1016/j.bmc.2016.08.054 |
| Homo sapiens | MCF7 | IC50 | 1242300.0 | nM | 10.1016/j.bmc.2016.08.054 |
| Mus musculus | BALB/3T3 | IC50 | 1831300.0 | nM | 10.1016/j.bmc.2016.08.054 |
| Sus scrofa | Cytosol aminopeptidase | IC50 | 111300.0 | nM | 10.1016/j.bmc.2016.08.054 |
| None | Unchecked | IC50 | 1551100.0 | nM | 10.1016/j.bmc.2016.08.054 |