Product name:Deoxyfrenolicin
Product description:Deoxyfrenolicin, stimulated to a greater extent than did insulin the oxidation of glucose and fructose, presumably via the pentose cycle, by isolated adipose cells. It is suggested that
deoxyfrenolicin stimulated sugar utilization in isolated adipose cells, at least in part, through a mechanism different from the actions of insulin or proteases.
Synonyms:1H-Naphtho(2,3-c)pyran-3-acetic acid, 3,4,5,10-tetrahydro-9-hydroxy-5,10-dioxo-1-propyl-, (1R-trans)-
Properties Computed from Structure:
Molecular Weight 330.33192 [g/mol]
Molecular Formula C18H18O6
XLogP 1.5
H-Bond Donor 2
H-Bond Acceptor 6
Rotatable Bond Count 4
Tautomer Count 14
Exact Mass 330.110338
MonoIsotopic Mass 330.110338
Topological Polar Surface Area 101
Heavy Atom Count 24
Formal Charge 0
Complexity 592
Isotope Atom Count 0
Defined Atom StereoCenter Count 2
Undefined Atom StereoCenter Count 0
Defined Bond StereoCenter Count 0
Undefined Bond StereoCenter Count 0
Covalently-Bonded Unit Count 1
Descriptors Computed from Structure:
IUPAC Name: 2-[(1R,3S)-9-hydroxy-5,10-dioxo-1-propyl-3,
4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
Canonical SMILES: CCCC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O
Isomeric SMILES: CCC[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O
InChI: InChI=1/C18H18O6/c1-2-4-13-16-11(7-9(24-13)8-14(20)21)17(22)10-5-3-6-12
(19)15(10)18(16)23/h3,5-6,9,13,19H,2,4,7-8H2,1H3,(H,20,21)/t9-,
13+/m0/s1/f/h20H