None

AlkaPlorer ID: AK323270

Synonym: None

IUPAC Name: 6-[(1R)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methoxyethyl]-2,3-dimethoxyphenol

Structure

SMILES: COC1=C(OC)C=C2C([C@](C)(OC)C3=CC=C(OC)C(OC)=C3O)=NCCC2=C1

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InChI: InChI=1S/C22H27NO6/c1-22(29-6,15-7-8-16(25-2)20(28-5)19(15)24)21-14-12-18(27-4)17(26-3)11-13(14)9-10-23-21/h7-8,11-12,24H,9-10H2,1-6H3/t22-/m1/s1

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InChIKey: QCPXRYKFJUHMHK-JOCHJYFZSA-N

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Source

Properties Information

Molecule Weight: 401.4590000000002

TPSA: 78.74000000000001

MolLogP: 3.3336000000000023

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli Escherichia coli Activity nan None 10.1021/acs.jnatprod.9b01155
Homo sapiens A2780 Activity nan None 10.1021/acs.jnatprod.9b01155
Homo sapiens A549 Activity nan None 10.1021/acs.jnatprod.9b01155
Homo sapiens Acyl coenzyme A:cholesterol acyltransferase IC50 100000.0 nM 10.1021/acs.jnatprod.9b01155
Homo sapiens Bel-7402 Activity nan None 10.1021/acs.jnatprod.9b01155
Homo sapiens BGC-823 Activity nan None 10.1021/acs.jnatprod.9b01155
Homo sapiens Carboxylesterase 2 IC50 5000.0 nM 10.1021/acs.jnatprod.9b01155
Homo sapiens HCT-8 Activity nan None 10.1021/acs.jnatprod.9b01155
Homo sapiens HepG2 Activity nan None 10.1021/acs.jnatprod.9b01155
Homo sapiens Protein-tyrosine phosphatase 1B Inhibition nan % 10.1021/acs.jnatprod.9b01155
Mus musculus Peritoneal macrophage Activity nan None 10.1021/acs.jnatprod.9b01155
Mycolicibacterium smegmatis Mycolicibacterium smegmatis Activity nan None 10.1021/acs.jnatprod.9b01155
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1021/acs.jnatprod.9b01155
Staphylococcus epidermidis Staphylococcus epidermidis Activity nan None 10.1021/acs.jnatprod.9b01155
None Unchecked Ratio IC50 20.0 None 10.1021/acs.jnatprod.9b01155

Metabolism Information