NP-MRD: Showing NP-Card for 3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione (NP0086365)

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Record Information

Version

2.0

Created at

2022-04-29 06:40:09 UTC

Updated at

2022-04-29 06:40:09 UTC

NP-MRD ID

NP0086365

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione

Description

SCHEMBL17014664 belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group. 3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione is found in Curcuma longa . Based on a literature review very few articles have been published on SCHEMBL17014664.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
   -1.1105    1.9486    2.8812 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2171    1.1366    1.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5617    0.8132    1.4624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7782   -0.0309    0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0854   -0.3962   -0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1657   -1.2916   -1.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3708   -1.6872   -1.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5589   -1.1809   -1.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7836   -1.5705   -1.6706 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4943   -0.2820   -0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2759    0.0958    0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0049    0.5364    1.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2023    1.0577    2.0395 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2721    2.4261    1.9269 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4690    0.3599    1.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7762    0.6799    0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.4722   -0.4079 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9383    0.0990   -0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7861   -0.7697    0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8747   -1.3000   -0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1090   -0.9568   -1.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2172   -1.5164   -2.5063 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2581   -0.0843   -2.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1869    0.4234   -1.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4329    1.2617    1.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8726   -0.4641    0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2554   -1.7197   -1.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4504   -2.3937   -2.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6189   -1.1873   -1.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4391    0.1035    0.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2751    0.7945    1.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0988   -0.5667    1.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0277    0.7090    0.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1103    0.8593    3.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6745    2.8075    1.2517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3887   -0.7338    1.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3443    0.6913    2.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5882   -1.0307    1.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5387   -1.9858   -0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1176   -1.0297   -2.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4707    0.1618   -3.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5258    1.1181   -2.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0
 13 12  1  0
 12  2  1  0
  2  1  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 11  5  1  0
 24 18  1  0
 14 35  1  0
 13 34  1  1
 12 32  1  0
 12 33  1  0
  3 25  1  0
  4 26  1  0
  6 27  1  0
  7 28  1  0
  9 29  1  0
 10 30  1  0
 11 31  1  0
 15 36  1  0
 15 37  1  0
 19 38  1  0
 20 39  1  0
 22 40  1  0
 23 41  1  0
 24 42  1  0
M  END


  Mrv1652304292208402D          

 24 25  0  0  0  0            999 V2000
    1.4289   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    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
   -2.8579   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  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
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
  8 14  1  0  0  0  0
  7 15  2  0  0  0  0
  2 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 18 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0086365

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C19H18O5/c20-15-6-1-13(2-7-15)3-8-17(22)11-18(23)12-19(24)14-4-9-16(21)10-5-14/h1-10,18,20-21,23H,11-12H2/b8-3+

> <INCHI_KEY>
NEZCLOILSKYYSV-FPYGCLRLSA-N

> <FORMULA>
C19H18O5

> <MOLECULAR_WEIGHT>
326.348

> <EXACT_MASS>
326.11542368

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
33.450994794977525

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(6E)-3-hydroxy-1,7-bis(4-hydroxyphenyl)hept-6-ene-1,5-dione

> <ALOGPS_LOGP>
2.74

> <JCHEM_LOGP>
2.807347993333334

> <ALOGPS_LOGS>
-4.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.065064298979552

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.746243698941597

> <JCHEM_PKA_STRONGEST_BASIC>
-2.850120596033416

> <JCHEM_POLAR_SURFACE_AREA>
94.83

> <JCHEM_REFRACTIVITY>
91.24570000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.12e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6E)-3-hydroxy-1,7-bis(4-hydroxyphenyl)hept-6-ene-1,5-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  O   UNK     0       2.667  -6.160   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001  -3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.335  -6.160   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       6.668  -3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336  -3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.669  -1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      13.337  -1.540   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      12.003  -3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       8.002  -6.160   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.334  -3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334  -3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001  -3.850   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  O   UNK     0      -5.335  -1.540   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -2.667  -1.540   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   16                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   15                                                  
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13    8                                                       
CONECT   15    7                                                            
CONECT   16    2   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   24                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   18                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₁₈O₅

Average Mass

326.3480 Da

Monoisotopic Mass

326.11542 Da

IUPAC Name

(6E)-3-hydroxy-1,7-bis(4-hydroxyphenyl)hept-6-ene-1,5-dione

Traditional Name

(6E)-3-hydroxy-1,7-bis(4-hydroxyphenyl)hept-6-ene-1,5-dione

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C19H18O5/c20-15-6-1-13(2-7-15)3-8-17(22)11-18(23)12-19(24)14-4-9-16(21)10-5-14/h1-10,18,20-21,23H,11-12H2/b8-3+

InChI Key

NEZCLOILSKYYSV-FPYGCLRLSA-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
Curcuma longa	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Sub Class

Linear diarylheptanoids

Direct Parent

Curcuminoids

Alternative Parents

Substituents

Bis-desmethoxycurcumin
Alkyl-phenylketone
Hydroxycinnamic acid or derivatives
Butyrophenone
Phenylketone
Fatty alcohol
Benzoyl
Styrene
Aryl ketone
Aryl alkyl ketone
1-hydroxy-2-unsubstituted benzenoid
Phenol
B'-hydroxy-alpha,beta-unsaturated-ketone
Fatty acyl
Beta-hydroxy ketone
Monocyclic benzene moiety
Benzenoid
Enone
Acryloyl-group
Alpha,beta-unsaturated ketone
Secondary alcohol
Ketone
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	2.74	ALOGPS
logP	2.81	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	7.75	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	94.83 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	91.25 m³·mol⁻¹	ChemAxon
Polarizability	33.45 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00056589

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

118314607

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione (NP0086365)

MOL for NP0086365 (3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione)

3D MOL for NP0086365 (3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione)

3D SDF for NP0086365 (3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione)

3D-SDF for NP0086365 (3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione)

PDB for NP0086365 (3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione)

3D PDB for NP0086365 (3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione)

SMILES for NP0086365 (3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione)

INCHI for NP0086365 (3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione)

Structure for NP0086365 (3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione)

3D Structure for NP0086365 (3-Hydroxy-1,7-bis(4-hydroxyphenyl)-6-heptene-1,5-dione)