NP-MRD: Showing NP-Card for Chrysin/5,7-dihydroxy-2-phenylchromen-4-one (NP0141339)

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Record Information

Version

1.0

Created at

2022-07-05 19:39:12 UTC

Updated at

2022-07-05 20:09:17 UTC

NP-MRD ID

NP0141339

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Chrysin/5,7-dihydroxy-2-phenylchromen-4-one

Description

5,7-Dihydroxyflavone, also known as chrysin or ois 3, belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one). Thus, 5,7-dihydroxyflavone is considered to be a flavonoid. 5,7-Dihydroxyflavone is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. It was first documented in 2021 (PMID: 34441689). Based on a literature review a significant number of articles have been published on 5,7-Dihydroxyflavone (PMID: 34372556) (PMID: 34350600) (PMID: 34339751) (PMID: 34066102).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306192119143D          

 29 31  0  0  0  0            999 V2000
   -1.8698    1.1033    1.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196    1.7256    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152    1.9872    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8753    2.6670   -0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3143    2.9713   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2340    2.0069   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5941    2.3120    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0527    3.5821   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1541    4.5469   -0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7944    4.2423   -0.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    3.1657   -1.7192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0505    2.9397   -1.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093    3.4458   -3.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633    3.2462   -3.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4699    3.7574   -4.5105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695    2.5491   -2.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2057    2.0460   -1.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0425    1.3693   -0.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463    2.2406   -1.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698    1.6195    1.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065    1.0018    0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2958    1.5553    0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1108    3.8184   -0.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100    5.5375   -0.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1099    5.0115   -1.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9961    3.9914   -3.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4170    3.5426   -4.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8258    2.3891   -2.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5175    1.0736    0.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
 12 19  2  0  0  0  0
  2  1  2  0  0  0  0
 14 16  1  0  0  0  0
  5  6  2  0  0  0  0
 14 13  2  0  0  0  0
  6  7  1  0  0  0  0
 16 17  2  0  0  0  0
  7  8  2  0  0  0  0
 17 19  1  0  0  0  0
  8  9  1  0  0  0  0
 12 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  4  5  1  0  0  0  0
 12 11  1  0  0  0  0
 17 18  1  0  0  0  0
 19  2  1  0  0  0  0
 14 15  1  0  0  0  0
 16 28  1  0  0  0  0
 13 26  1  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 18 29  1  0  0  0  0
 15 27  1  0  0  0  0
M  END

     RDKit          3D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.8698    1.1033    1.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196    1.7256    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152    1.9872    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8753    2.6670   -0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3143    2.9713   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2340    2.0069   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5941    2.3120    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0527    3.5821   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1541    4.5469   -0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7944    4.2423   -0.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    3.1657   -1.7192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0505    2.9397   -1.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093    3.4458   -3.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633    3.2462   -3.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4699    3.7574   -4.5105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695    2.5491   -2.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2057    2.0460   -1.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0425    1.3693   -0.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463    2.2406   -1.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698    1.6195    1.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065    1.0018    0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2958    1.5553    0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1108    3.8184   -0.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100    5.5375   -0.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1099    5.0115   -1.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9961    3.9914   -3.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4170    3.5426   -4.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8258    2.3891   -2.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5175    1.0736    0.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  2  0
  4 11  1  0
 12 19  2  0
  2  1  2  0
 14 16  1  0
  5  6  2  0
 14 13  2  0
  6  7  1  0
 16 17  2  0
  7  8  2  0
 17 19  1  0
  8  9  1  0
 12 13  1  0
  9 10  2  0
 10  5  1  0
  4  5  1  0
 12 11  1  0
 17 18  1  0
 19  2  1  0
 14 15  1  0
 16 28  1  0
 13 26  1  0
  3 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 18 29  1  0
 15 27  1  0
M  END


  Mrv1652306192119143D          

 29 31  0  0  0  0            999 V2000
   -1.8698    1.1033    1.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196    1.7256    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152    1.9872    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8753    2.6670   -0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3143    2.9713   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2340    2.0069   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5941    2.3120    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0527    3.5821   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1541    4.5469   -0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7944    4.2423   -0.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    3.1657   -1.7192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0505    2.9397   -1.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093    3.4458   -3.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633    3.2462   -3.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4699    3.7574   -4.5105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695    2.5491   -2.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2057    2.0460   -1.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0425    1.3693   -0.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463    2.2406   -1.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698    1.6195    1.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065    1.0018    0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2958    1.5553    0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1108    3.8184   -0.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100    5.5375   -0.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1099    5.0115   -1.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9961    3.9914   -3.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4170    3.5426   -4.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8258    2.3891   -2.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5175    1.0736    0.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 11  1  0  0  0  0
 12 19  2  0  0  0  0
  2  1  2  0  0  0  0
 14 16  1  0  0  0  0
  5  6  2  0  0  0  0
 14 13  2  0  0  0  0
  6  7  1  0  0  0  0
 16 17  2  0  0  0  0
  7  8  2  0  0  0  0
 17 19  1  0  0  0  0
  8  9  1  0  0  0  0
 12 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  4  5  1  0  0  0  0
 12 11  1  0  0  0  0
 17 18  1  0  0  0  0
 19  2  1  0  0  0  0
 14 15  1  0  0  0  0
 16 28  1  0  0  0  0
 13 26  1  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 18 29  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0141339

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C([H])C2=C(C(=O)C([H])=C(O2)C2=C([H])C([H])=C([H])C([H])=C2[H])C(O[H])=C1[H]

> <INCHI_IDENTIFIER>
InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H

> <INCHI_KEY>
RTIXKCRFFJGDFG-UHFFFAOYSA-N

> <FORMULA>
C15H10O4

> <MOLECULAR_WEIGHT>
254.2375

> <EXACT_MASS>
254.057908808

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
25.727745149733636

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dihydroxy-2-phenyl-4H-chromen-4-one

> <ALOGPS_LOGP>
3.44

> <JCHEM_LOGP>
3.010254455333333

> <ALOGPS_LOGS>
-3.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.18044483529754

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.577777050433021

> <JCHEM_PKA_STRONGEST_BASIC>
-5.382203662884733

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
70.933

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chrysin

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.8698    1.1033    1.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196    1.7256    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152    1.9872    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8753    2.6670   -0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3143    2.9713   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2340    2.0069   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5941    2.3120    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0527    3.5821   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1541    4.5469   -0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7944    4.2423   -0.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    3.1657   -1.7192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0505    2.9397   -1.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093    3.4458   -3.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633    3.2462   -3.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4699    3.7574   -4.5105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695    2.5491   -2.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2057    2.0460   -1.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0425    1.3693   -0.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463    2.2406   -1.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698    1.6195    1.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065    1.0018    0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2958    1.5553    0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1108    3.8184   -0.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100    5.5375   -0.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1099    5.0115   -1.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9961    3.9914   -3.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4170    3.5426   -4.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8258    2.3891   -2.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5175    1.0736    0.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  2  0
  4 11  1  0
 12 19  2  0
  2  1  2  0
 14 16  1  0
  5  6  2  0
 14 13  2  0
  6  7  1  0
 16 17  2  0
  7  8  2  0
 17 19  1  0
  8  9  1  0
 12 13  1  0
  9 10  2  0
 10  5  1  0
  4  5  1  0
 12 11  1  0
 17 18  1  0
 19  2  1  0
 14 15  1  0
 16 28  1  0
 13 26  1  0
  3 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 18 29  1  0
 15 27  1  0
M  END

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  O   UNK     0      -1.870   1.103   1.037  0.00  0.00           O+0
HETATM    2  C   UNK     0      -1.220   1.726   0.204  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.215   1.987   0.383  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.875   2.667  -0.566  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.314   2.971  -0.442  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.234   2.007  -0.001  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.594   2.312   0.102  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.053   3.582  -0.240  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.154   4.547  -0.689  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.794   4.242  -0.792  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.288   3.166  -1.719  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.050   2.940  -1.923  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.609   3.446  -3.096  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.963   3.246  -3.352  0.00  0.00           C+0
HETATM   15  O   UNK     0      -3.470   3.757  -4.511  0.00  0.00           O+0
HETATM   16  C   UNK     0      -3.769   2.549  -2.456  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.206   2.046  -1.286  0.00  0.00           C+0
HETATM   18  O   UNK     0      -4.043   1.369  -0.440  0.00  0.00           O+0
HETATM   19  C   UNK     0      -1.846   2.241  -1.018  0.00  0.00           C+0
HETATM   20  H   UNK     0       0.670   1.619   1.294  0.00  0.00           H+0
HETATM   21  H   UNK     0       2.906   1.002   0.255  0.00  0.00           H+0
HETATM   22  H   UNK     0       5.296   1.555   0.444  0.00  0.00           H+0
HETATM   23  H   UNK     0       6.111   3.818  -0.162  0.00  0.00           H+0
HETATM   24  H   UNK     0       4.510   5.537  -0.960  0.00  0.00           H+0
HETATM   25  H   UNK     0       2.110   5.011  -1.144  0.00  0.00           H+0
HETATM   26  H   UNK     0      -0.996   3.991  -3.808  0.00  0.00           H+0
HETATM   27  H   UNK     0      -4.417   3.543  -4.561  0.00  0.00           H+0
HETATM   28  H   UNK     0      -4.826   2.389  -2.648  0.00  0.00           H+0
HETATM   29  H   UNK     0      -3.518   1.074   0.339  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    3    1   19                                                  
CONECT    3    2    4   20                                                  
CONECT    4    3   11    5                                                  
CONECT    5    6   10    4                                                  
CONECT    6    5    7   21                                                  
CONECT    7    6    8   22                                                  
CONECT    8    7    9   23                                                  
CONECT    9    8   10   24                                                  
CONECT   10    9    5   25                                                  
CONECT   11    4   12                                                       
CONECT   12   19   13   11                                                  
CONECT   13   14   12   26                                                  
CONECT   14   16   13   15                                                  
CONECT   15   14   27                                                       
CONECT   16   14   17   28                                                  
CONECT   17   16   19   18                                                  
CONECT   18   17   29                                                       
CONECT   19   12   17    2                                                  
CONECT   20    3                                                            
CONECT   21    6                                                            
CONECT   22    7                                                            
CONECT   23    8                                                            
CONECT   24    9                                                            
CONECT   25   10                                                            
CONECT   26   13                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   18                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   62    0
END

RDKit          3D

29 31  0  0  0  0  0  0  0  0999 V2000
   -1.8698    1.1033    1.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196    1.7256    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152    1.9872    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8753    2.6670   -0.5661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3143    2.9713   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2340    2.0069   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5941    2.3120    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0527    3.5821   -0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1541    4.5469   -0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7944    4.2423   -0.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    3.1657   -1.7192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0505    2.9397   -1.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093    3.4458   -3.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9633    3.2462   -3.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4699    3.7574   -4.5105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7695    2.5491   -2.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2057    2.0460   -1.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0425    1.3693   -0.4396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463    2.2406   -1.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698    1.6195    1.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9065    1.0018    0.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2958    1.5553    0.4435 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1108    3.8184   -0.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5100    5.5375   -0.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1099    5.0115   -1.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9961    3.9914   -3.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4170    3.5426   -4.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8258    2.3891   -2.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5175    1.0736    0.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  2  0
  4 11  1  0
 12 19  2  0
  2  1  2  0
 14 16  1  0
  5  6  2  0
 14 13  2  0
  6  7  1  0
 16 17  2  0
  7  8  2  0
 17 19  1  0
  8  9  1  0
 12 13  1  0
  9 10  2  0
 10  5  1  0
  4  5  1  0
 12 11  1  0
 17 18  1  0
 19  2  1  0
 14 15  1  0
 16 28  1  0
 13 26  1  0
  3 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 18 29  1  0
 15 27  1  0
M  END

View in JSmol View DFT Assignments 3D Conformers

Synonyms

Value	Source
5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one	ChEBI
5,7-Dihydroxy-2-phenyl-4H-benzo(b)pyran-4-one	ChEBI
5,7-Dihydroxy-2-phenylchromen-4-one	ChEBI
5,7-Dihydroxy-2-phenyl-4H-1-benzopyran-4-one, 9ci	HMDB
Chrysin	HMDB
Chrysinic acid	HMDB
Ois 3	HMDB
Chrysine	HMDB
5,7-Dihydroxy-flavone	HMDB
5,7-Dihydroxyflavone	ChEBI

Chemical Formula

C₁₅H₁₀O₄

Average Mass

254.2375 Da

Monoisotopic Mass

254.05791 Da

IUPAC Name

5,7-dihydroxy-2-phenyl-4H-chromen-4-one

Traditional Name

chrysin

CAS Registry Number

Not Available

SMILES

[H]OC1=C([H])C2=C(C(=O)C([H])=C(O2)C2=C([H])C([H])=C([H])C([H])=C2[H])C(O[H])=C1[H]

InChI Identifier

InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H

InChI Key

RTIXKCRFFJGDFG-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Methanol, simulated)	Jtkp6n	Sumner Lab, University of Missouri	Jay Koller	2022-07-05	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Methanol, experimental)	Jtkp6n	Sumner Lab, University of Missouri	Jay Koller	2022-07-05	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 50 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 150 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 250 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 175 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 75 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 225 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 125 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 25 MHz, Pyridine-d5, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, Dimethylsulfoxide-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, DMSO-d6, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 250 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 175 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 225 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, dmso, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavones

Direct Parent

Flavones

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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	3.44	ALOGPS
logP	3.01	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	6.58	ChemAxon
pKa (Strongest Basic)	-5.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	70.93 m³·mol⁻¹	ChemAxon
Polarizability	25.73 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

HMDB0036619

DrugBank ID

Not Available

Phenol Explorer Compound ID

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Chrysin

METLIN ID

Not Available

PubChem Compound

PDB ID

ChEBI ID

Good Scents ID

References

General References

Ting P, Srinuanchai W, Suttisansanee U, Tuntipopipat S, Charoenkiatkul S, Praengam K, Chantong B, Temviriyanukul P, Nuchuchua O: Development of Chrysin Loaded Oil-in-Water Nanoemulsion for Improving Bioaccessibility. Foods. 2021 Aug 18;10(8). pii: foods10081912. doi: 10.3390/foods10081912. [PubMed:34441689 ]
Kim SR, Jeong MS, Mun SH, Cho J, Seo MD, Kim H, Lee J, Song JH, Ko HJ: Antiviral Activity of Chrysin against Influenza Virus Replication via Inhibition of Autophagy. Viruses. 2021 Jul 13;13(7). pii: v13071350. doi: 10.3390/v13071350. [PubMed:34372556 ]
Amir Siddiqui M, Badruddeen, Akhtar J, Uddin S, Chandrashekharan SM, Ahmad M, Khan MI, Khalid M: Chrysin modulates protein kinase IKKepsilon/TBK1, insulin sensitivity and hepatic fatty infiltration in diet-induced obese mice. Drug Dev Res. 2022 Feb;83(1):194-207. doi: 10.1002/ddr.21859. Epub 2021 Aug 5. [PubMed:34350600 ]
Ibrahim SS, Abo Elseoud OG, Mohamedy MH, Amer MM, Mohamed YY, Elmansy SA, Kadry MM, Attia AA, Fanous RA, Kamel MS, Solyman YA, Shehata MS, George MY: Nose-to-brain delivery of chrysin transfersomal and composite vesicles in doxorubicin-induced cognitive impairment in rats: Insights on formulation, oxidative stress and TLR4/NF-kB/NLRP3 pathways. Neuropharmacology. 2021 Oct 1;197:108738. doi: 10.1016/j.neuropharm.2021.108738. Epub 2021 Jul 31. [PubMed:34339751 ]
Frediansyah A, Romadhoni F, Suryani, Nurhayati R, Wibowo AT: Fermentation of Jamaican Cherries Juice Using Lactobacillus plantarum Elevates Antioxidant Potential and Inhibitory Activity against Type II Diabetes-Related Enzymes. Molecules. 2021 May 12;26(10). pii: molecules26102868. doi: 10.3390/molecules26102868. [PubMed:34066102 ]

Showing NP-Card for Chrysin/5,7-dihydroxy-2-phenylchromen-4-one (NP0141339)

MOL for NP0141339 (Chrysin/5,7-dihydroxy-2-phenylchromen-4-one)

3D MOL for NP0141339 (Chrysin/5,7-dihydroxy-2-phenylchromen-4-one)

3D SDF for NP0141339 (Chrysin/5,7-dihydroxy-2-phenylchromen-4-one)

3D-SDF for NP0141339 (Chrysin/5,7-dihydroxy-2-phenylchromen-4-one)

PDB for NP0141339 (Chrysin/5,7-dihydroxy-2-phenylchromen-4-one)

3D PDB for NP0141339 (Chrysin/5,7-dihydroxy-2-phenylchromen-4-one)

SMILES for NP0141339 (Chrysin/5,7-dihydroxy-2-phenylchromen-4-one)

INCHI for NP0141339 (Chrysin/5,7-dihydroxy-2-phenylchromen-4-one)

Structure for NP0141339 (Chrysin/5,7-dihydroxy-2-phenylchromen-4-one)

3D Structure for NP0141339 (Chrysin/5,7-dihydroxy-2-phenylchromen-4-one)