Molecule

(+)-Yanhusanine B

AlkaPlorer ID: AK002237

Synonym: None

IUPAC Name: (3S)-3-(6,7-dimethoxyisoquinolin-1-yl)-6,7-dimethoxy-3-methyl-2-benzofuran-1-one

SMILES: C[C@]1(C2=C(C(=C(C=C2)OC)OC)C(=O)O1)C3=NC=CC4=CC(=C(C=C43)OC)OC

InChI: InChI=1S/C22H21NO6/c1-22(14-6-7-15(25-2)19(28-5)18(14)21(24)29-22)20-13-11-17(27-4)16(26-3)10-12(13)8-9-23-20/h6-11H,1-5H3/t22-/m0/s1

InChIKey: WEIMSZGIAOAYGZ-QFIPXVFZSA-N

PubChem CID: 156016579

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

Molecule Weight: 395.4110000000002

TPSA？: 76.11000000000001

MolLogP？: 3.7031000000000027

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 4

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	2000.0	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	49.3	None	10.1021/acs.jnatprod.9b01155