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Isorhapontigenin

CAT: 0127-BUP02887-01Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
32507-66-7
Synonyms
Isorhapotogenin
Purity
=98%
Smiles
COc1cc(\C=C\c2cc(O)cc(O)c2)ccc1O

Chemical Information

Isorhapontigenin

Isorhapontigenin is a stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 5, while the other phenyl group is substituted by a methoxy group at position 3 and a hydroxy group at position 4. It natural product isolated from the seeds of Aphanes aculeata and has antioxidant, anti-tumour, and anti-inflammatory effects. It has a role as an antioxidant, an antiviral agent, a hypoglycemic agent, an antineoplastic agent, an anti-inflammatory agent, a plant metabolite and a cardioprotective agent. It is a member of guaiacols, a polyphenol, a member of resorcinols and a stilbenol. It is functionally related to a piceatannol.

CAS Number32507-66-7
PubChem CID5318650
IUPAC Name5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol
Molecular FormulaC15H14O4
Molecular Weight258.27
XLogP3.2
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity295
SMILES
COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O)O)O
InChI
InChI=1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
InChIKey
ANNNBEZJTNCXHY-NSCUHMNNSA-N
Chemical Structure
2D Structure
2D structure of Isorhapontigenin
CAS: 32507-66-7
CID: 5318650
Formula: C15H14O4
MW: 258.27
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.27
XLogP33.2
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
Complexity295
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

Alternative Products

CatalogName
BA3635-25Isorhapontigenin
HY-N2593RIsorhapontigenin (Standard)

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