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116709-70-7 | 4H-1-Benzopyran-4-one, 3-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-
CAS No: 116709-70-7 Catalog No: AG000D5L MDL No:
Product Description
Catalog Number:
AG000D5L
Chemical Name:
4H-1-Benzopyran-4-one, 3-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-
CAS Number:
116709-70-7
Molecular Formula:
C20H18O6
Molecular Weight:
354.3533
IUPAC Name:
3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
InChI:
InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
InChI Key:
JOQWUUJQWPZLAT-UHFFFAOYSA-N
SMILES:
CC(=CCc1cc(cc(c1O)O)c1coc2c(c1=O)c(O)cc(c2)O)C
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.11g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
354.358g/mol
Monoisotopic Mass:
354.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Prenylflavonoids from Glycyrrhiza uralensis and their protein tyrosine phosphatase-1B inhibitory activities. | Bioorganic & medicinal chemistry letters 20100915 |
| Isoflavonoids and other compounds from Psorothamnus arborescens with antiprotozoal activities. | Journal of natural products 20060101 |
| Transcriptional suppression of the HIV promoter by natural compounds. | Antiviral research 20030301 |
| Inhibition of herpes simplex virus infection by tannins and related compounds. | Antiviral research 19890101 |
| Anti-human immunodeficiency virus phenolics from licorice. | Chemical & pharmaceutical bulletin 19880601 |
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