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Bi-magnolignan

CAT: 0013-GTR19256390-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256390-01Size:50 mg
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Description
Bi-magnolignan is a BRD4 inhibitor that can induce DNA damage and apoptosis. It effectively hinders the proliferation of HCT116 cells, exhibiting an IC50 value of 2.9 μM.
CAS Number
2883117-61-9
Field of Research
Epigenetics & Chromatin
Smiles
OC=1C (O) =C (C=2OC3=CC=C (C=C3C2C1C4=C (O) C (O) =C (C=5OC6=CC=C (C=C6C54) CC=C) CC=C) CC=C) CC=C
Molecular Formula
C36H30O6
Molecular Weight
558.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bi-magnolignan
CAS Number2883117-61-9
PubChem CID177822901
IUPAC Name1-[2,3-dihydroxy-4,8-bis(prop-2-enyl)dibenzofuran-1-yl]-4,8-bis(prop-2-enyl)dibenzofuran-2,3-diol
Molecular FormulaC36H30O6
Molecular Weight558.6
XLogP9.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity919
SMILES
C=CCC1=CC2=C(C=C1)OC3=C2C(=C(C(=C3CC=C)O)O)C4=C(C(=C(C5=C4C6=C(O5)C=CC(=C6)CC=C)CC=C)O)O
InChI
InChI=1S/C36H30O6/c1-5-9-19-13-15-25-23(17-19)27-29(33(39)31(37)21(11-7-3)35(27)41-25)30-28-24-18-20(10-6-2)14-16-26(24)42-36(28)22(12-8-4)32(38)34(30)40/h5-8,13-18,37-40H,1-4,9-12H2
InChIKey
BUDXZZIXIPSEDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bi-magnolignan
CAS: 2883117-61-9
CID: 177822901
Formula: C36H30O6
MW: 558.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.6
XLogP39.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass558.20423867
Monoisotopic Mass558.20423867
Topological Polar Surface Area107 Ų
Heavy Atom Count42
Formal Charge0
Complexity919
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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