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1246926-09-9 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methyl-2-buten-1-yl)phenyl]-3,6-dimethoxy-
CAS No: 1246926-09-9 Catalog No: AG000MMO MDL No:
Product Description
Catalog Number:
AG000MMO
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]-3,6-dimethoxy-
CAS Number:
1246926-09-9
Molecular Formula:
C27H32O8
Molecular Weight:
484.5382
IUPAC Name:
5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)-5-(3-methylbut-2-enyl)phenyl]-3,6-dimethoxychromen-4-one
InChI:
InChI=1S/C27H32O8/c1-14(2)6-8-16-10-18(11-17(22(16)30)9-7-15(3)13-28)25-27(34-5)24(32)21-20(35-25)12-19(29)26(33-4)23(21)31/h6,10-12,15,28-31H,7-9,13H2,1-5H3
InChI Key:
HZKQZIBQTUUPIQ-UHFFFAOYSA-N
SMILES:
OCC(CCc1cc(cc(c1O)CC=C(C)C)c1oc2cc(O)c(c(c2c(=O)c1OC)O)OC)C
Properties
Complexity:
788
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
484.21g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
484.545g/mol
Monoisotopic Mass:
484.21g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
126A^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 |
| Clerodane diterpenoids and prenylated flavonoids from Dodonaea viscosa. | Journal of Asian natural products research 20100101 |
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