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100363-94-8 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,6,8-trimethoxy-
CAS No: 100363-94-8 Catalog No: AG0001PV MDL No:
Product Description
Catalog Number:
AG0001PV
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,6,8-trimethoxy-
CAS Number:
100363-94-8
Molecular Formula:
C20H20O10
Molecular Weight:
420.3668
IUPAC Name:
5,7-dihydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,6,8-trimethoxychromen-4-one
InChI:
InChI=1S/C20H20O10/c1-25-10-6-8(9(21)7-11(10)26-2)16-19(28-4)14(23)12-13(22)18(27-3)15(24)20(29-5)17(12)30-16/h6-7,21-22,24H,1-5H3
InChI Key:
GABPPIKPVIRAPL-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1OC)O)c1oc2c(OC)c(O)c(c(c2c(=O)c1OC)O)OC
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.106g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
420.37g/mol
Monoisotopic Mass:
420.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Acetylcholinesterase and insect growth inhibitory activities of Gutierrezia microcephala on fall armyworm Spodoptera frugiperda J.E. Smith. | Zeitschrift fur Naturforschung. C, Journal of biosciences 20010101 |
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