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3,4,5'-Trihydroxy-3'-methoxy-trans-stilbene

CAT: 0013-GTR19279604-01Size: 50 mgDry Ice: NoHazardous: No
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Description
3,4,5'-Trihydroxy-3'-methoxy-trans-stilbene (Compound 3) is a stilbene derivative identified in Stuhlmannia moavi. It exhibits moderate anti-proliferative and anti-malarial properties, with IC50 values of 54 μM against A2780 human ovarian cancer cells and 27 μM against Plasmodium falciparum. This compound is applicable in ovarian cancer and malaria research.
CAS Number
96853-54-2
Smiles
C (=C/C1=CC (O) =C (O) C=C1) \C2=CC (OC) =CC (O) =C2
Molecular Formula
C15H14O4
Molecular Weight
258.27
Notes
For research use only.

Chemical Information

4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]benzene-1,2-diol

3-Methoxystilbene-3',4',5-triol has been reported in Gnetum edule, Gnetum ula, and Stuhlmannia moavi with data available.

CAS Number96853-54-2
PubChem CID20735621
IUPAC Name4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]benzene-1,2-diol
Molecular FormulaC15H14O4
Molecular Weight258.27
XLogP3.1
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity305
SMILES
COC1=CC(=CC(=C1)O)/C=C/C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C15H14O4/c1-19-13-7-11(6-12(16)9-13)3-2-10-4-5-14(17)15(18)8-10/h2-9,16-18H,1H3/b3-2+
InChIKey
AOMAYOSPRMTXRK-NSCUHMNNSA-N
Chemical Structure
2D Structure
2D structure of 4-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]benzene-1,2-diol
CAS: 96853-54-2
CID: 20735621
Formula: C15H14O4
MW: 258.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.27
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass258.08920892
Monoisotopic Mass258.08920892
Topological Polar Surface Area69.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity305
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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