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16545-23-6 | 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-
CAS No: 16545-23-6 Catalog No: AG001W61 MDL No:
Product Description
Catalog Number:
AG001W61
Chemical Name:
4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxy-
CAS Number:
16545-23-6
Molecular Formula:
C18H16O7
Molecular Weight:
344.3154
IUPAC Name:
5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxychromen-4-one
InChI:
InChI=1S/C18H16O7/c1-22-16-14(21)13-11(20)8-12(9-4-6-10(19)7-5-9)25-15(13)17(23-2)18(16)24-3/h4-8,19,21H,1-3H3
InChI Key:
SAMBWAJRKKEEOR-UHFFFAOYSA-N
SMILES:
COc1c(OC)c(OC)c(c2c1oc(cc2=O)c1ccc(cc1)O)O
UNII:
3IN82Y8CAA
NSC Number:
79323
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.09g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.319g/mol
Monoisotopic Mass:
344.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
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| Inhibitory effect of xanthomicrol and 3 alpha-angeloyloxy-2 alpha-hydroxy-13,14Z-dehydrocativic acid from Brickellia paniculata on the contractility of guinea-pig ileum. | Planta medica 20020501 |
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