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1246926-08-8 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-3,6-dimethoxy-
CAS No: 1246926-08-8 Catalog No: AG000MMP MDL No:
Product Description
Catalog Number:
AG000MMP
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-3,6-dimethoxy-
CAS Number:
1246926-08-8
Molecular Formula:
C27H30O7
Molecular Weight:
466.5229
IUPAC Name:
5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-3,6-dimethoxychromen-4-one
InChI:
InChI=1S/C27H30O7/c1-14(2)7-9-16-11-18(12-17(22(16)29)10-8-15(3)4)25-27(33-6)24(31)21-20(34-25)13-19(28)26(32-5)23(21)30/h7-8,11-13,28-30H,9-10H2,1-6H3
InChI Key:
OAZONEZZBRWOEP-UHFFFAOYSA-N
SMILES:
COc1c(O)cc2c(c1O)c(=O)c(c(o2)c1cc(CC=C(C)C)c(c(c1)CC=C(C)C)O)OC
Properties
Complexity:
791
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.199g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
466.53g/mol
Monoisotopic Mass:
466.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
Literature
| Title | Journal |
|---|---|
| Isoprenylated flavonoid and adipogenesis-promoting constituents of Dodonaea viscosa. | Journal of natural products 20120427 |
| Clerodane diterpenoids and prenylated flavonoids from Dodonaea viscosa. | Journal of Asian natural products research 20100101 |
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