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1372527-39-3 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methyl-2-buten-1-yl)phenyl]-3-methoxy-, (-)-
CAS No: 1372527-39-3 Catalog No: AG001309 MDL No:MFCD28100627
Product Description
Catalog Number:
AG001309
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methyl-2-buten-1-yl)phenyl]-3-methoxy-, (-)-
CAS Number:
1372527-39-3
Molecular Formula:
C26H30O7
Molecular Weight:
454.5122
MDL Number:
MFCD28100627
IUPAC Name:
5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methylbut-2-enyl)phenyl]-3-methoxychromen-4-one
InChI:
InChI=1S/C26H30O7/c1-14(2)5-7-16-9-18(10-17(23(16)30)8-6-15(3)13-27)25-26(32-4)24(31)22-20(29)11-19(28)12-21(22)33-25/h5,9-12,15,27-30H,6-8,13H2,1-4H3
InChI Key:
DJUDTARIJQVMAT-UHFFFAOYSA-N
SMILES:
OCC(CCc1cc(cc(c1O)CC=C(C)C)c1oc2cc(O)cc(c2c(=O)c1OC)O)C
Properties
Complexity:
741
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.199g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
454.519g/mol
Monoisotopic Mass:
454.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Isoprenylated flavonoid and adipogenesis-promoting constituents of Dodonaea viscosa. | Journal of natural products 20120427 |
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