Molecule

None

AlkaPlorer ID: AK323271

Synonym: None

IUPAC Name: 6-[(1S)-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

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-/m0/s1

InChIKey: QCPXRYKFJUHMHK-QFIPXVFZSA-N

Reference

PubChem CID: 156016139

NPASS: NPC481464

Source

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

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	9300.0	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	10.8	None	10.1021/acs.jnatprod.9b01155