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121747-90-8 | 4H-1-Benzopyran-4-one, 3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-
CAS No: 121747-90-8 Catalog No: AG0015QM MDL No:
Product Description
Catalog Number:
AG0015QM
Chemical Name:
4H-1-Benzopyran-4-one, 3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-
CAS Number:
121747-90-8
Molecular Formula:
C25H24O5
Molecular Weight:
404.4551
IUPAC Name:
3-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
InChI:
InChI=1S/C25H24O5/c1-14(2)5-7-17-19(26)12-21-22(23(17)27)24(28)18(13-29-21)15-6-8-20-16(11-15)9-10-25(3,4)30-20/h5-6,8-13,26-27H,7H2,1-4H3
InChI Key:
CUDNUXBRPAPDBJ-UHFFFAOYSA-N
SMILES:
CC(=CCc1c(O)cc2c(c1O)c(=O)c(co2)c1ccc2c(c1)C=CC(O2)(C)C)C
Properties
Complexity:
760
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.162g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
404.462g/mol
Monoisotopic Mass:
404.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| Prenylated isoflavonoids from the root bark of Erythrina vogelii. | Journal of natural products 20020301 |
| Flavonoids from Ulex airensis and Ulex europaeus ssp. europaeus. | Journal of natural products 20020201 |
| A new prenylisoflavone from Ulex jussiaei. | Zeitschrift fur Naturforschung. C, Journal of biosciences 20020101 |
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