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FL3

CAT: 0931-T27330-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T27330-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1186012-80-5
Target
Others, Apoptosis
Related Pathways
Others, Apoptosis
Bioactivity
FL3 is a novel potent eIF4F inhibitor, it induces the death of cancer cells by an original mechanism that involves the apoptosis-inducing factor and caspase 12.
Smiles
O[C@]12[C@]([C@@H](C[C@H]1O)C3=CC=CC=C3)(OC=4C2=C(OC)C=C(OC)C4)C5=CC=C(Br)C=C5
Molecular Formula
C25H23BrO5
Molecular Weight
483.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

FL3 (flavagline)
CAS Number1186012-80-5
PubChem CID44233671
IUPAC Name(1R,3S,3aR,8bS)-3a-(4-bromophenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
Molecular FormulaC25H23BrO5
Molecular Weight483.3
XLogP3.9
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity633
SMILES
COC1=CC2=C(C(=C1)OC)[C@@]3([C@@H](C[C@H]([C@@]3(O2)C4=CC=C(C=C4)Br)C5=CC=CC=C5)O)O
InChI
InChI=1S/C25H23BrO5/c1-29-18-12-20(30-2)23-21(13-18)31-25(16-8-10-17(26)11-9-16)19(14-22(27)24(23,25)28)15-6-4-3-5-7-15/h3-13,19,22,27-28H,14H2,1-2H3/t19-,22+,24+,25-/m0/s1
InChIKey
ACIXIVSDWSWVDW-MCWSDJLFSA-N
Chemical Structure
2D Structure
2D structure of FL3 (flavagline)
CAS: 1186012-80-5
CID: 44233671
Formula: C25H23BrO5
MW: 483.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight483.3
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass482.07289
Monoisotopic Mass482.07289
Topological Polar Surface Area68.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity633
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes