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87746-47-2 | 4H-1-Benzopyran-4-one,2-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-2,3-dihydro-5,7-dihydroxy-,(2S)-
CAS No: 87746-47-2 Catalog No: AG004IMR MDL No:
Product Description
Catalog Number:
AG004IMR
Chemical Name:
4H-1-Benzopyran-4-one,2-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-2,3-dihydro-5,7-dihydroxy-,(2S)-
CAS Number:
87746-47-2
Molecular Formula:
C20H20O6
Molecular Weight:
356.3692
IUPAC Name:
(2S)-2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C20H20O6/c1-10(2)3-4-11-5-12(6-16(24)20(11)25)17-9-15(23)19-14(22)7-13(21)8-18(19)26-17/h3,5-8,17,21-22,24-25H,4,9H2,1-2H3/t17-/m0/s1
InChI Key:
SFQIGPZCFNTPOD-KRWDZBQOSA-N
SMILES:
CC(=CCc1cc(cc(c1O)O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O)C
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
356.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
356.374g/mol
Monoisotopic Mass:
356.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Isoprenylated flavonoids from the stem bark of Erythrina abyssinica. | Journal of natural products 20070601 |
| Anti-inflammatory activities of two flavanones, sigmoidin A and sigmoidin B, from Erythrina sigmoidea. | Planta medica 20040201 |
| Cytotoxic activity of low molecular weight polyphenols against human oral tumor cell lines. | Anticancer research 20000101 |
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