NP-MRD: Showing NP-Card for Bavachromene (NP0054764)

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Record Information

Version

2.0

Created at

2022-04-28 01:00:46 UTC

Updated at

2022-04-28 01:00:47 UTC

NP-MRD ID

NP0054764

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Bavachromene

Description

Bavachromene 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, bavachromene is considered to be a flavonoid. Bavachromene is found in Broussonetia papyrifera, Psoralea corylifolia , Derris floribunda and Mundulea sericea . Bavachromene was first documented in 2017 (PMID: 28886520). Based on a literature review a small amount of articles have been published on Bavachromene (PMID: 34335272) (PMID: 32522914) (PMID: 29300354) (PMID: 28777876).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    6.2873   -0.8919    0.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3593    0.1545    0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0751    0.8059   -1.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0227    1.2073    1.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    1.5116    1.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6738    0.7915    0.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3687    1.0773    1.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2697    0.3825    0.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0176    0.7939    0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9506    1.8085    1.8174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3720    0.4774    0.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0651   -0.3532    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5451   -0.3926    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3513    0.4101    0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7453    0.3175    0.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3229   -0.6348   -0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7145   -0.7061   -0.0734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5466   -1.4744   -0.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1748   -1.3454   -0.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -0.6226   -0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4340   -1.3615   -0.9795 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8786   -0.9181   -0.6839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9227   -0.2206   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2397   -0.4929   -0.4061 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9608   -0.3552    1.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8904   -1.2911   -0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6625   -1.6533    1.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5604    1.7505   -1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1305    1.0093   -0.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0125    0.1327   -1.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8023    1.7929    1.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5708    2.3261    2.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341    1.8862    1.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0879    1.1442    1.3214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5482   -1.0438   -0.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9530    1.1631    1.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3612    0.9737    1.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2686   -0.1551   -0.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0453   -2.2035   -1.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5691   -1.9927   -1.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2685   -2.0963   -1.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0772   -1.7114   -1.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2 24  1  0
 24 23  1  0
 23  6  2  0
  6  5  1  0
  5  4  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
  8 20  1  0
 20 21  1  0
 20 22  2  0
  4  2  1  0
 19 13  1  0
 22 23  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  3 29  1  0
  3 30  1  0
  5 32  1  0
  4 31  1  0
  7 33  1  0
 11 34  1  0
 12 35  1  0
 14 36  1  0
 15 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 21 41  1  0
 22 42  1  0
M  END


  Mrv1652304282203002D          

 24 26  0  0  0  0            999 V2000
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9679   -0.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 14 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0054764

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)OC2=C(C=C1)C=C(C(=O)\C=C\C1=CC=C(O)C=C1)C(O)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C20H18O4/c1-20(2)10-9-14-11-16(18(23)12-19(14)24-20)17(22)8-5-13-3-6-15(21)7-4-13/h3-12,21,23H,1-2H3/b8-5+

> <INCHI_KEY>
LYPURLGLYLCBSU-VMPITWQZSA-N

> <FORMULA>
C20H18O4

> <MOLECULAR_WEIGHT>
322.36

> <EXACT_MASS>
322.12050906

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
35.39831645481969

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E)-1-(7-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one

> <ALOGPS_LOGP>
4.39

> <JCHEM_LOGP>
4.833818067666667

> <ALOGPS_LOGS>
-4.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.041865787455714

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.198369423144166

> <JCHEM_PKA_STRONGEST_BASIC>
-4.927295416986851

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
95.2322

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.70e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bavachromene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.335   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -9.336   2.310   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.817   0.536   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.540  -0.716   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5                                                            
CONECT    8    2    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   12   18                                                  
CONECT   18   17                                                            
CONECT   19   15   20                                                       
CONECT   20   19   21   23   24                                             
CONECT   21   20   22                                                       
CONECT   22   21   14                                                       
CONECT   23   20                                                            
CONECT   24   20                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₁₈O₄

Average Mass

322.3600 Da

Monoisotopic Mass

322.12051 Da

IUPAC Name

(2E)-1-(7-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one

Traditional Name

bavachromene

CAS Registry Number

Not Available

SMILES

CC1(C)OC2=C(C=C1)C=C(C(=O)\C=C\C1=CC=C(O)C=C1)C(O)=C2

InChI Identifier

InChI=1S/C20H18O4/c1-20(2)10-9-14-11-16(18(23)12-19(14)24-20)17(22)8-5-13-3-6-15(21)7-4-13/h3-12,21,23H,1-2H3/b8-5+

InChI Key

LYPURLGLYLCBSU-VMPITWQZSA-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
Broussonetia papyrifera	LOTUS Database	35616633
Cullen corylifolium	Plant	KNApSAcK
Derris floribunda	Plant	KNApSAcK
Mundulea sericea	Plant	KNApSAcK

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
Cinnamic acid or derivatives
Hydroxycinnamic acid or derivatives
2,2-dimethyl-1-benzopyran
Benzopyran
1-benzopyran
Styrene
Aryl ketone
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Alpha,beta-unsaturated ketone
Enone
Acryloyl-group
Ketone
Ether
Oxacycle
Organoheterocyclic compound
Organic oxide
Aldehyde
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Chalcones and dihydrochalcones (LMPK12120080 )

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	4.39	ALOGPS
logP	4.83	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	7.2	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	95.23 m³·mol⁻¹	ChemAxon
Polarizability	35.4 Å³	ChemAxon
Number of Rings	3	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00007069

Chemspider ID

4479451

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5321800

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zhang B, Zhao J, Wang Z, Guo P, Liu A, Du G: Identification of Multi-Target Anti-AD Chemical Constituents From Traditional Chinese Medicine Formulae by Integrating Virtual Screening and In Vitro Validation. Front Pharmacol. 2021 Jul 16;12:709607. doi: 10.3389/fphar.2021.709607. eCollection 2021. [PubMed:34335272 ]
Son JL, Kim AJ, Oh S, Bae JM: Inhibitory effects on Streptococcus mutans of antibacterial agents mixed with experimental fluoride varnish. Dent Mater J. 2020 Aug 2;39(4):690-695. doi: 10.4012/dmj.2020-016. Epub 2020 Jun 9. [PubMed:32522914 ]
Kim DH, Li H, Han YE, Jeong JH, Lee HJ, Ryu JH: Modulation of Inducible Nitric Oxide Synthase Expression in LPS-Stimulated BV-2 Microglia by Prenylated Chalcones from Cullen corylifolium (L.) Medik. through Inhibition of I-kappaBalpha Degradation. Molecules. 2018 Jan 4;23(1). pii: molecules23010109. doi: 10.3390/molecules23010109. [PubMed:29300354 ]
Dai X, Pang L, Zhang Z, Yang C, Li Y: Development of a sensitive LC-MS/MS method for quantification of coniferyl ferulate and its metabolite coniferyl alcohol in rat plasma: Application to a pharmacokinetic study. J Pharm Biomed Anal. 2017 Nov 30;146:201-205. doi: 10.1016/j.jpba.2017.08.033. Epub 2017 Aug 30. [PubMed:28886520 ]
Luan L, Shen X, Liu X, Wu Y, Tan M: Qualitative analysis of Psoraleae Fructus by HPLC-DAD/TOF-MS fingerprint and quantitative analysis of multiple components by single marker. Biomed Chromatogr. 2018 Feb;32(2). doi: 10.1002/bmc.4059. Epub 2017 Sep 14. [PubMed:28777876 ]

Showing NP-Card for Bavachromene (NP0054764)

MOL for NP0054764 (Bavachromene)

3D MOL for NP0054764 (Bavachromene)

3D SDF for NP0054764 (Bavachromene)

3D-SDF for NP0054764 (Bavachromene)

PDB for NP0054764 (Bavachromene)

3D PDB for NP0054764 (Bavachromene)

SMILES for NP0054764 (Bavachromene)

INCHI for NP0054764 (Bavachromene)

Structure for NP0054764 (Bavachromene)

3D Structure for NP0054764 (Bavachromene)