NP-MRD: Showing NP-Card for Flavokawin B (NP0054642)

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Record Information

Version

2.0

Created at

2022-04-28 00:55:52 UTC

Updated at

2022-04-28 00:55:52 UTC

NP-MRD ID

NP0054642

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Flavokawin B

Description

2'-Hydroxy-4',6'-dimethoxychalcone, also known as 4',6'-dimethoxy-2'-hydroxychalcone or flavokawain b, belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position. Thus, 2'-hydroxy-4',6'-dimethoxychalcone is considered to be a flavonoid lipid molecule. 2'-Hydroxy-4',6'-dimethoxychalcone is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, 2'-Hydroxy-4',6'-dimethoxychalcone has been detected, but not quantified in, beverages. Flavokawin B is found in Alpinia mutica, Alpinia nutans, Alpinia pricei, Alpinia zerumbet, Aniba riparia, Boesenbergia pandurata , Cedrelopsis grevei, Didymocarpus corchorifolia, Alpinia speciosa , Helichrysum oxyphyllum, Kaempferia parviflora, Medicago sativa , Myrica pensylvanica , Persicaria ferruginea, Polygonum lapathifolium , Persicaria senegalensis, Pinus excelsa , Pinus wallichiana , Piper cubeba, Piper dilatatum, Piper methysticum , Piper rusbyi, Pityrogramma triangularis, Polygonum ferrugineum , Renealmia nicolaioides, Uvaria angolensis and Uvaria mocoli. Flavokawin B was first documented in 2007 (PMID: 17354169). This could make 2'-hydroxy-4',6'-dimethoxychalcone a potential biomarker for the consumption of these foods (PMID: 19537711) (PMID: 20112340) (PMID: 21543203).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 38  0  0  0  0  0  0  0  0999 V2000
   -5.8233   -0.7240    0.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4066    0.5485    0.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0540    0.7782    0.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6307    1.9976   -0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2633    2.2584   -0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9846    3.4969   -1.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3011    1.2819   -0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0948    1.5295   -0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4237    2.6889   -0.9638 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1781    0.6012   -0.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4406    0.9956   -0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5839    0.1292   -0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5382   -1.1676    0.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6994   -1.9382    0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9359   -1.4242   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0061   -0.1246   -0.5569 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558    0.6157   -0.6955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7438    0.0625    0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502   -0.9472    0.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164   -2.1880    0.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1060   -0.1853    0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4542   -0.9153    1.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9235   -0.7819    0.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4203   -1.5444    0.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3592    2.7886   -0.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1856    3.9589   -1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0903   -0.4026    0.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6119    2.0053   -0.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5758   -1.6205    0.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6387   -2.9560    0.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8492   -2.0075    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9815    0.2811   -0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9328    1.6335   -1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9033   -2.0889    1.8157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9015   -2.6659    0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4212   -2.8104    1.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3878   -1.1588    0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
  7 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  2  0
 21  3  1  0
 17 12  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  6 26  1  0
 10 27  1  0
 11 28  1  0
 13 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  0
 17 33  1  0
 20 34  1  0
 20 35  1  0
 20 36  1  0
 21 37  1  0
M  END


  Mrv0541 05061307172D          

 21 22  0  0  0  0            999 V2000
    2.1434    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  9  8  2  0  0  0  0
 12  6  2  0  0  0  0
 12  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 10  2  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 14  1  0  0  0  0
 17 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20  1  1  0  0  0  0
 20 13  1  0  0  0  0
 21  2  1  0  0  0  0
 21 16  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0054642

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=C(C(=O)\C=C\C2=CC=CC=C2)C(OC)=C1

> <INCHI_IDENTIFIER>
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+

> <INCHI_KEY>
QKQLSQLKXBHUSO-CMDGGOBGSA-N

> <FORMULA>
C17H16O4

> <MOLECULAR_WEIGHT>
284.3065

> <EXACT_MASS>
284.104859

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
30.543866084250624

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one

> <ALOGPS_LOGP>
3.90

> <JCHEM_LOGP>
3.921417456

> <ALOGPS_LOGS>
-4.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.98074607071105

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.189677877742016

> <JCHEM_PKA_STRONGEST_BASIC>
-4.575932460949793

> <JCHEM_POLAR_SURFACE_AREA>
55.760000000000005

> <JCHEM_REFRACTIVITY>
81.7843

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.06e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
flavokavain B

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       4.001  17.710   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667  15.400   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334  11.550   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  13.860   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  16.170   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  15.400   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334  13.090   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  13.090   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000  15.400   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000  13.860   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -2.667  13.860   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       1.334  11.550   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.001  16.170   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -1.334  16.170   0.000  0.00  0.00           O+0
CONECT    1   20                                                            
CONECT    2   21                                                            
CONECT    3    4    5                                                       
CONECT    4    3    6                                                       
CONECT    5    3    7                                                       
CONECT    6    4   12                                                       
CONECT    7    5   12                                                       
CONECT    8    9   12                                                       
CONECT    9    8   14                                                       
CONECT   10   13   15                                                       
CONECT   11   13   16                                                       
CONECT   12    6    7    8                                                  
CONECT   13   10   11   20                                                  
CONECT   14    9   17   18                                                  
CONECT   15   10   17   19                                                  
CONECT   16   11   17   21                                                  
CONECT   17   14   15   16                                                  
CONECT   18   14                                                            
CONECT   19   15                                                            
CONECT   20    1   13                                                       
CONECT   21    2   16                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Value	Source
4',6'-Dimethoxy-2'-hydroxychalcone	ChEBI
CHALCONE,2-hydroxy-4,6-dimethyl	HMDB
Flavokawain b	HMDB
Flavokawin b	HMDB
2'-Hydroxy-4',6'-dimethoxychalcone	ChEBI
Flavokavin b	MeSH
Flavokavain b	MeSH

Chemical Formula

C₁₇H₁₆O₄

Average Mass

284.3065 Da

Monoisotopic Mass

284.10486 Da

IUPAC Name

(2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one

Traditional Name

flavokavain B

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=C(C(=O)\C=C\C2=CC=CC=C2)C(OC)=C1

InChI Identifier

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+

InChI Key

QKQLSQLKXBHUSO-CMDGGOBGSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Alpinia mutica	LOTUS Database	35616633
Alpinia nutans	LOTUS Database	35616633
Alpinia pricei	LOTUS Database	35616633
Alpinia zerumbet	LOTUS Database	35616633
Aniba riparia	Plant	KNApSAcK
Boesenbergia pandurata	Plant	KNApSAcK
Cedrelopsis grevei	LOTUS Database	35616633
Didymocarpus corchorifolia	Plant	KNApSAcK
Etlingera elatior	Plant	KNApSAcK
Helichrysum oxyphyllum	Plant	KNApSAcK
Kaempferia parviflora	LOTUS Database	35616633
Medicago sativa	Plant	KNApSAcK
Myrica pensylvanica	Plant	KNApSAcK
Persicaria ferruginea	LOTUS Database	35616633
Persicaria lapathifolia	Plant	KNApSAcK
Persicaria senegalensis	LOTUS Database	35616633
Pinus excelsa	Plant	KNApSAcK
Pinus wallichiana	Plant	KNApSAcK
Piper cubeba	LOTUS Database	35616633
Piper dilatatum	LOTUS Database	35616633
Piper methysticum	Plant	KNApSAcK
Piper rusbyi	LOTUS Database	35616633
Pityrogramma triangularis	Plant	KNApSAcK
Polygonum ferrugineum	Plant	KNApSAcK
Renealmia nicolaioides	LOTUS Database	35616633
Uvaria angolensis	LOTUS Database	35616633
Uvaria mocoli	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Sub Class

Chalcones and dihydrochalcones

Direct Parent

2'-Hydroxychalcones

Alternative Parents

Substituents

2'-hydroxychalcone
Cinnamylphenol
Methoxyphenol
Dimethoxybenzene
M-dimethoxybenzene
Methoxybenzene
Anisole
Benzoyl
Aryl ketone
Phenoxy compound
Styrene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Vinylogous acid
Alpha,beta-unsaturated ketone
Enone
Acryloyl-group
Ketone
Ether
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

phenols (CHEBI:65899 )
dimethoxybenzene (CHEBI:65899 )
chalcones (CHEBI:65899 )
Chalcones and dihydrochalcones (LMPK12120246 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	3.9	ALOGPS
logP	3.92	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	8.19	ChemAxon
pKa (Strongest Basic)	-4.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	55.76 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	81.78 m³·mol⁻¹	ChemAxon
Polarizability	30.54 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0033691

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB011797

KNApSAcK ID

C00006936

Chemspider ID

4511912

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5356121

PDB ID

Not Available

ChEBI ID

65899

Good Scents ID

Not Available

References

General References

Flores N, Cabrera G, Jimenez IA, Pinero J, Gimenez A, Bourdy G, Cortes-Selva F, Bazzocchi IL: Leishmanicidal constituents from the leaves of Piper rusbyi. Planta Med. 2007 Mar;73(3):206-11. doi: 10.1055/s-2007-967123. Epub 2007 Mar 12. [PubMed:17354169 ]
Lin CT, Senthil Kumar KJ, Tseng YH, Wang ZJ, Pan MY, Xiao JH, Chien SC, Wang SY: Anti-inflammatory activity of Flavokawain B from Alpinia pricei Hayata. J Agric Food Chem. 2009 Jul 22;57(14):6060-5. doi: 10.1021/jf900517d. [PubMed:19537711 ]
Tang Y, Li X, Liu Z, Simoneau AR, Xie J, Zi X: Flavokawain B, a kava chalcone, induces apoptosis via up-regulation of death-receptor 5 and Bim expression in androgen receptor negative, hormonal refractory prostate cancer cell lines and reduces tumor growth. Int J Cancer. 2010 Oct 15;127(8):1758-68. doi: 10.1002/ijc.25210. [PubMed:20112340 ]
Lin E, Lin WH, Wang SY, Chen CS, Liao JW, Chang HW, Chen SC, Lin KY, Wang L, Yang HL, Hseu YC: Flavokawain B inhibits growth of human squamous carcinoma cells: Involvement of apoptosis and cell cycle dysregulation in vitro and in vivo. J Nutr Biochem. 2012 Apr;23(4):368-78. doi: 10.1016/j.jnutbio.2011.01.002. Epub 2011 May 2. [PubMed:21543203 ]

Showing NP-Card for Flavokawin B (NP0054642)

MOL for NP0054642 (Flavokawin B)

3D MOL for NP0054642 (Flavokawin B)

3D SDF for NP0054642 (Flavokawin B)

3D-SDF for NP0054642 (Flavokawin B)

PDB for NP0054642 (Flavokawin B)

3D PDB for NP0054642 (Flavokawin B)

SMILES for NP0054642 (Flavokawin B)

INCHI for NP0054642 (Flavokawin B)

Structure for NP0054642 (Flavokawin B)

3D Structure for NP0054642 (Flavokawin B)