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name Structure Reference Source Properties Activities Metabolism

None

AlkaPlorer ID: AK323266

Synonym: None

IUPAC Name: (2R,3R)-3-hydroxy-6,6',7,7'-tetramethoxy-3-methylspiro[1-benzofuran-2,1'-3,4-dihydroisoquinoline]-2'-carbaldehyde

Structure

SMILES: COC1=C(OC)C=C2C(=C1)CCN(C=O)[C@@]21OC2=C(OC)C(OC)=CC=C2[C@@]1(C)O

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InChI: InChI=1S/C22H25NO7/c1-21(25)14-6-7-16(26-2)20(29-5)19(14)30-22(21)15-11-18(28-4)17(27-3)10-13(15)8-9-23(22)12-24/h6-7,10-12,25H,8-9H2,1-5H3/t21-,22-/m1/s1

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InChIKey: ISIFDIITECFTMI-FGZHOGPDSA-N

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Reference

PubChem CID: 156021944

NPASS: NPC481455

Source

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

Properties Information

Molecule Weight: 415.4420000000002

TPSA？: 86.69000000000001

MolLogP？: 2.1884

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 4

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 nan None 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

Metabolism Information