NP-MRD: Showing NP-Card for Pseudobaptigenin (NP0051486)

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Record Information

Version

2.0

Created at

2022-04-27 22:50:01 UTC

Updated at

2022-04-27 22:50:01 UTC

NP-MRD ID

NP0051486

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Pseudobaptigenin

Description

Pseudobaptigenin, also known as psi-baptigenin, belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom. Thus, pseudobaptigenin is considered to be a flavonoid lipid molecule. Pseudobaptigenin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, Pseudobaptigenin has been detected, but not quantified in, several different foods, such as sweet rowanberries, mandarin orange (clementine, tangerine), sweet cherries, strawberry guava, and burdocks. Pseudobaptigenin is found in Andira inermis, Baptisia tinctoria , Cicer arietinum, Cladrastis platycarpa, Dalbergia assamica, Dalbergia frutescens, Dalbergia latifolia , Dalbergia sericea, Dalbergia spruceana, Dalbergia stevensonii, Maackia amurensis, Maackia spp., Oxytropis falcata, Paraburkholderia phymatum, Pisum sativum , Pongamia pinnata, Pterocarpus erinaceus , Pterocarpus marsupium, Pterocarpus spp., Sophora alopecuroides, Sophora secundiflora , Spatholobus suberectus, Sophora japonica , Taxus fuana, Taxus yunnanensis, Trifolium pratense and Trifolium repens . Pseudobaptigenin was first documented in 2004 (PMID: 15283457). This could make pseudobaptigenin a potential biomarker for the consumption of these foods (PMID: 16413562) (PMID: 23265844).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.5394   -1.4321    1.3845 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9796   -0.6476    0.5024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0820    0.0442   -0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3736   -0.0908   -0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9311   -1.3430    0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3229   -1.4596    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1259   -0.3481    0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5952    0.9160    0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2067    1.0047   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6129    1.8587    0.0760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8379    1.1659    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4914   -0.2082    0.2937 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5977    0.8937   -1.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8722    1.0399   -1.3950 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7798    0.3980   -0.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1325    0.5730   -0.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0447   -0.1004   -0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4305    0.0512   -0.2870 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6276   -0.9749    0.8676 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2546   -1.1385    1.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3326   -0.4631    0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2821   -2.1896    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7470   -2.4519    0.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7472    1.9784   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5234    1.3372   -0.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3414    1.4491    1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1005    1.4432   -1.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4429    1.2592   -1.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9312    0.7720    0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3219   -1.5208    1.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700   -1.8159    1.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 17  1  0
 17 16  2  0
 16 15  1  0
 15 21  2  0
 21 20  1  0
 20 19  2  0
 21  2  1  0
  2  1  2  0
  2  3  1  0
  3 13  2  0
 13 14  1  0
  3  4  1  0
  4  9  2  0
  9  8  1  0
  8  7  2  0
  7 12  1  0
 12 11  1  0
 11 10  1  0
  7  6  1  0
  6  5  2  0
 19 17  1  0
  5  4  1  0
 14 15  1  0
 10  8  1  0
 18 29  1  0
 16 28  1  0
 20 31  1  0
 19 30  1  0
 13 27  1  0
  9 24  1  0
 11 25  1  0
 11 26  1  0
  6 23  1  0
  5 22  1  0
M  END


  Mrv0541 05061309142D          

 21 24  0  0  0  0            999 V2000
    3.3523   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -6.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -6.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -3.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -5.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -3.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -6.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -5.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -3.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -4.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668   -4.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246   -6.4729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -5.2354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -3.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -2.5055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -3.8404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  4  1  2  0  0  0  0
  9  1  1  0  0  0  0
  9  5  2  0  0  0  0
 10  2  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12  7  2  0  0  0  0
 12  9  1  0  0  0  0
 13  4  1  0  0  0  0
 14  6  1  0  0  0  0
 14 11  2  0  0  0  0
 15  5  1  0  0  0  0
 15 13  2  0  0  0  0
 16 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 10  1  0  0  0  0
 18 16  2  0  0  0  0
 19  7  1  0  0  0  0
 19 14  1  0  0  0  0
 20  8  1  0  0  0  0
 20 13  1  0  0  0  0
 21  8  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0051486

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC2=C(OCO2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2

> <INCHI_KEY>
KNJNBKINYHZUGC-UHFFFAOYSA-N

> <FORMULA>
C16H10O5

> <MOLECULAR_WEIGHT>
282.2476

> <EXACT_MASS>
282.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
28.211021362092254

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-(2H-1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one

> <ALOGPS_LOGP>
2.76

> <JCHEM_LOGP>
2.6572365006666665

> <ALOGPS_LOGS>
-3.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.477841364872621

> <JCHEM_PKA_STRONGEST_BASIC>
-4.647313457230468

> <JCHEM_POLAR_SURFACE_AREA>
64.99000000000001

> <JCHEM_REFRACTIVITY>
73.48800000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.54e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pseudobaptigenin

> <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       6.258  -5.153   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.259 -12.083   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.925 -11.313   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.924  -4.383   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.924  -7.463   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.592  -9.773   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.925  -6.693   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.220  -5.923   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.258  -6.693   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.592 -11.313   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.925  -9.773   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.591  -7.463   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.590  -5.153   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.259  -9.003   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.590  -6.693   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.591  -9.003   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      12.926 -12.083   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       6.258  -9.773   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      10.259  -7.463   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       2.126  -4.677   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       2.126  -7.169   0.000  0.00  0.00           O+0
CONECT    1    4    9                                                       
CONECT    2    3   10                                                       
CONECT    3    2   11                                                       
CONECT    4    1   13                                                       
CONECT    5    9   15                                                       
CONECT    6   10   14                                                       
CONECT    7   12   19                                                       
CONECT    8   20   21                                                       
CONECT    9    1    5   12                                                  
CONECT   10    2    6   17                                                  
CONECT   11    3   14   16                                                  
CONECT   12    7    9   16                                                  
CONECT   13    4   15   20                                                  
CONECT   14    6   11   19                                                  
CONECT   15    5   13   21                                                  
CONECT   16   11   12   18                                                  
CONECT   17   10                                                            
CONECT   18   16                                                            
CONECT   19    7   14                                                       
CONECT   20    8   13                                                       
CONECT   21    8   15                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END

View in JSmol

Synonyms

Value	Source
3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one	ChEBI
7-Hydroxy-3',4'-(methylenedioxy)isoflavone	ChEBI
Pseudobaptisin aglycone	ChEBI
Psi-baptigenin	ChEBI
.psi.-baptigenin	HMDB
3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one, 9ci	HMDB
3-(1,3-Benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one	HMDB
7-Hydroxy-3', 4'-methylenedioxyisoflavone	HMDB
7-Hydroxy-3',4'-(methylenedioxy)-isoflavone	HMDB
Y-baptigenin	HMDB

Chemical Formula

C₁₆H₁₀O₅

Average Mass

282.2476 Da

Monoisotopic Mass

282.05282 Da

IUPAC Name

3-(2H-1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one

Traditional Name

pseudobaptigenin

CAS Registry Number

Not Available

SMILES

OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC2=C(OCO2)C=C1

InChI Identifier

InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2

InChI Key

KNJNBKINYHZUGC-UHFFFAOYSA-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
Andira inermis	LOTUS Database	35616633
Baptisia tinctoria	Plant	KNApSAcK
Cicer arietinum	LOTUS Database	35616633
Cladrastis platycarpa	Plant	KNApSAcK
Dalbergia assamica	Plant	KNApSAcK
Dalbergia frutescens	LOTUS Database	35616633
Dalbergia latifolia	Plant	KNApSAcK
Dalbergia sericea	Plant	KNApSAcK
Dalbergia spruceana	Plant	KNApSAcK
Dalbergia stevensonii	Plant	KNApSAcK
Maackia amurensis	LOTUS Database	35616633
Maackia spp.	Plant	KNApSAcK
Oxytropis falcata	LOTUS Database	35616633
Paraburkholderia phymatum	-	KNApSAcK
Pisum sativum	Plant	KNApSAcK
Pongamia pinnata	LOTUS Database	35616633
Pterocarpus erinaceus	Plant	KNApSAcK
Pterocarpus marsupium	LOTUS Database	35616633
Pterocarpus spp.	Plant	KNApSAcK
Sophora alopecuroides	LOTUS Database	35616633
Sophora secundiflora	Plant	KNApSAcK
Spatholobus suberectus	LOTUS Database	35616633
Styphnolobium japonicum	Plant	KNApSAcK
Taxus fuana	Plant	KNApSAcK
Taxus wallichiana var. yunnanensis	Plant	KNApSAcK
Trifolium pratense	Plant	KNApSAcK
Trifolium repens	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflav-2-enes

Direct Parent

Isoflavones

Alternative Parents

Substituents

Isoflavone
Hydroxyisoflavonoid
Chromone
Benzopyran
1-benzopyran
Benzodioxole
Pyranone
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Pyran
Heteroaromatic compound
Oxacycle
Organoheterocyclic compound
Acetal
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

benzodioxoles (CHEBI:8602 )
7-hydroxyisoflavones (CHEBI:8602 )
isoflavones (C10522 )
Isoflavonoids (C10522 )
Isoflavonoids (LMPK12050053 )
a small molecule (CPD-3628 )

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	2.76	ALOGPS
logP	2.66	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	6.48	ChemAxon
pKa (Strongest Basic)	-4.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	64.99 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	73.49 m³·mol⁻¹	ChemAxon
Polarizability	28.21 Å³	ChemAxon
Number of Rings	4	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

HMDB0036616

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Pseudobaptigenin

METLIN ID

Not Available

PubChem Compound

5281805

PDB ID

Not Available

ChEBI ID

8602

Good Scents ID

Not Available

References

General References

Yoon JS, Sung SH, Park JH, Kim YC: Flavonoids from Spatholobus suberectus. Arch Pharm Res. 2004 Jun;27(6):589-92. doi: 10.1007/BF02980154. [PubMed:15283457 ]
Delmonte P, Perry J, Rader JI: Determination of isoflavones in dietary supplements containing soy, Red Clover and kudzu: extraction followed by basic or acid hydrolysis. J Chromatogr A. 2006 Feb 24;1107(1-2):59-69. doi: 10.1016/j.chroma.2005.11.060. Epub 2006 Jan 18. [PubMed:16413562 ]
Matin A, Doddareddy MR, Gavande N, Nammi S, Groundwater PW, Roubin RH, Hibbs DE: The discovery of novel isoflavone pan peroxisome proliferator-activated receptor agonists. Bioorg Med Chem. 2013 Feb 1;21(3):766-78. doi: 10.1016/j.bmc.2012.11.040. Epub 2012 Dec 3. [PubMed:23265844 ]

Showing NP-Card for Pseudobaptigenin (NP0051486)

MOL for NP0051486 (Pseudobaptigenin)

3D MOL for NP0051486 (Pseudobaptigenin)

3D SDF for NP0051486 (Pseudobaptigenin)

3D-SDF for NP0051486 (Pseudobaptigenin)

PDB for NP0051486 (Pseudobaptigenin)

3D PDB for NP0051486 (Pseudobaptigenin)

SMILES for NP0051486 (Pseudobaptigenin)

INCHI for NP0051486 (Pseudobaptigenin)

Structure for NP0051486 (Pseudobaptigenin)

3D Structure for NP0051486 (Pseudobaptigenin)