4-dihydroisoquinoline"
AlkaPlorer ID: AK002694
Synonym: None
IUPAC Name: 1-(furan-2-yl)-3,4-dihydroisoquinoline-6,7-diol
Structure
SMILES: OC1=C(O)C=C2C(C3=CC=CO3)=NCCC2=C1
InChI: InChI=1S/C13H11NO3/c15-10-6-8-3-4-14-13(9(8)7-11(10)16)12-2-1-5-17-12/h1-2,5-7,15-16H,3-4H2
InChIKey: MPIZJISFGAZXLS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Portulaca oleracea | Portulaca | Portulacaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 229.235
TPSA？: 65.96000000000001
MolLogP？: 2.0843
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Alpha-1b adrenergic receptor | Activity | 13.36 | % | 10.1021/acs.jnatprod.9b00418 |
| Homo sapiens | Beta-1 adrenergic receptor | Activity | 73.5 | % | 10.1021/acs.jnatprod.9b00418 |
| Homo sapiens | Beta-2 adrenergic receptor | Activity | 91.8 | % | 10.1021/acs.jnatprod.7b00762 |
| Homo sapiens | Beta-2 adrenergic receptor | EC50 | 87.86 | nM | 10.1021/acs.jmedchem.0c01195 |
| Homo sapiens | Beta-2 adrenergic receptor | EC50 | 5100.0 | nM | 10.1021/acs.jnatprod.7b00762 |
| Mus musculus | RAW264.7 | EC50 | 17960.0 | nM | 10.1021/acs.jmedchem.0c01195 |
| Mus musculus | RAW264.7 | EC50 | 18100.0 | nM | 10.1021/acs.jnatprod.7b00762 |
| Mus musculus | RAW264.7 | Inhibition | nan | % | 10.1021/acs.jnatprod.7b00762 |