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Flavokawain B 10mg

CAT: 0628-A22437-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A22437-10Size:10 mg
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CAS Number
1775-97-9

Chemical Information

Flavokawain B

Flavokawain B is a member of the class of chalcones that consists of trans-chalcone substituted by hydroxy group at positions 2' and methoxy groups at positions 4' and 6'. Isolated from Piper methysticum and Piper rusbyi, it exhibits antileishmanial, anti-inflammatory and antineoplastic activities. It has a role as a metabolite, an antineoplastic agent, an anti-inflammatory agent, an apoptosis inducer and an antileishmanial agent. It is a member of chalcones, a member of phenols and a dimethoxybenzene. It is functionally related to a trans-chalcone.

CAS Number1775-97-9
PubChem CID5356121
IUPAC Name(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
Molecular FormulaC17H16O4
Molecular Weight284.31
XLogP3.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity360
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=CC=C2)O
InChI
InChI=1S/C17H16O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-11,19H,1-2H3/b9-8+
InChIKey
QKQLSQLKXBHUSO-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of Flavokawain B
CAS: 1775-97-9
CID: 5356121
Formula: C17H16O4
MW: 284.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.31
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass284.10485899
Monoisotopic Mass284.10485899
Topological Polar Surface Area55.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity360
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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