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29096-94-4 | 4H-1-Benzopyran-4-one, 7-hydroxy-3-(2,4,5-trimethoxyphenyl)-
CAS No: 29096-94-4 Catalog No: AG002XAC MDL No:
Product Description
Catalog Number:
AG002XAC
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-3-(2,4,5-trimethoxyphenyl)-
CAS Number:
29096-94-4
Molecular Formula:
C18H16O6
Molecular Weight:
328.3160
IUPAC Name:
7-hydroxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
InChI:
InChI=1S/C18H16O6/c1-21-14-8-17(23-3)16(22-2)7-12(14)13-9-24-15-6-10(19)4-5-11(15)18(13)20/h4-9,19H,1-3H3
InChI Key:
IXZYJZHCXHSCDY-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1c1coc2c(c1=O)ccc(c2)O)OC
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.32g/mol
Monoisotopic Mass:
328.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| A New Isoflavone Glycoside from Dalbergia vacciniifolia (Fabaceae). | Scientia pharmaceutica 20120101 |
| Review article number 135 biosynthesis in the rotenoid group of natural products: applications of isotope methodology. | Phytochemistry 19981120 |
| Cytotoxic isoflavans from Eysenhardtia polystachya. | Journal of natural products 19980626 |
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