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125537-92-0 | 4H-1-Benzopyran-4-one, 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-methoxy-
CAS No: 125537-92-0 Catalog No: AG000NU0 MDL No:MFCD19441031
Product Description
Catalog Number:
AG000NU0
Chemical Name:
4H-1-Benzopyran-4-one, 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-methoxy-
CAS Number:
125537-92-0
Molecular Formula:
C17H14O8
Molecular Weight:
346.2883
MDL Number:
MFCD19441031
IUPAC Name:
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
InChI:
InChI=1S/C17H14O8/c1-23-16-9(19)3-7(4-10(16)20)12-5-8(18)14-13(25-12)6-11(21)17(24-2)15(14)22/h3-6,19-22H,1-2H3
InChI Key:
KPONYCCDEVQZMR-UHFFFAOYSA-N
SMILES:
COc1c(O)cc(cc1O)c1cc(=O)c2c(o1)cc(c(c2O)OC)O
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.069g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
346.291g/mol
Monoisotopic Mass:
346.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| DNA topoisomerase IIα inhibitory and anti-HIV-1 flavones from leaves and twigs of Gardenia carinata. | Fitoterapia 20120301 |
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