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23013-84-5 | 6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-
CAS No: 23013-84-5 Catalog No: AG002LVZ MDL No:
Product Description
Catalog Number:
AG002LVZ
Chemical Name:
6H-Benzofuro[3,2-c][1]benzopyran-6-one, 3,9-dihydroxy-1-methoxy-2-(3-methyl-2-buten-1-yl)-
CAS Number:
23013-84-5
Molecular Formula:
C21H18O6
Molecular Weight:
366.3640
IUPAC Name:
3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
InChI:
InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3
InChI Key:
LWESBHWAOZORCQ-UHFFFAOYSA-N
SMILES:
COc1c(CC=C(C)C)c(O)cc2c1c1oc3c(c1c(=O)o2)ccc(c3)O
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.11g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.369g/mol
Monoisotopic Mass:
366.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
Literature
| Title | Journal |
|---|---|
| Inhibition of neuraminidase activity by polyphenol compounds isolated from the roots of Glycyrrhiza uralensis. | Bioorganic & medicinal chemistry letters 20100201 |
| Anti-inflammatory effects of glycyrol isolated from Glycyrrhiza uralensis in LPS-stimulated RAW264.7 macrophages. | International immunopharmacology 20081101 |
| Genetic and environmental influences on therapeutic and toxicity outcomes: studies with CYP2A6. | Current clinical pharmacology 20060901 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Phenolics with PPAR-gamma ligand-binding activity obtained from licorice (Glycyrrhiza uralensis roots) and ameliorative effects of glycyrin on genetically diabetic KK-A(y) mice. | Bioorganic & medicinal chemistry letters 20031215 |
| Cytotoxic activity of low molecular weight polyphenols against human oral tumor cell lines. | Anticancer research 20000101 |
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