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Flavokawain B 100mg

CAT: 0628-A22437-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A22437-100Size:100 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
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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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