Molecule

None

AlkaPlorer ID: AK323268

Synonym: None

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

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

InChI: InChI=1S/C21H25NO5/c1-12(14-6-7-16(24-2)21(27-5)20(14)23)19-15-11-18(26-4)17(25-3)10-13(15)8-9-22-19/h6-7,10-12,23H,8-9H2,1-5H3/t12-/m0/s1

InChIKey: MRIXQJHQZAJICE-LBPRGKRZSA-N

PubChem CID: 156017031

NPASS: NPC481461

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Corydalis yanhusuo	Corydalis	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 371.43300000000016

TPSA？: 69.51

MolLogP？: 3.5755000000000026

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 3

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	8700.0	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	11.6	None	10.1021/acs.jnatprod.9b01155