NP-MRD: Showing NP-Card for 6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate (NP0247289)

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Record Information

Version

2.0

Created at

2022-09-07 09:05:09 UTC

Updated at

2022-09-07 09:05:09 UTC

NP-MRD ID

NP0247289

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate

Description

6-[3-(3-Formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenyl-4H-chromen-7-yl benzoate 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). 6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate is found in Desmos chinensis. Based on a literature review very few articles have been published on 6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenyl-4H-chromen-7-yl benzoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072211052D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309072211052D          

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    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
    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
    5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    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
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   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
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 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
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 29 34  1  0  0  0  0
 28 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 26 38  1  0  0  0  0
 38 39  2  0  0  0  0
 13 39  1  0  0  0  0
 39 40  1  0  0  0  0
  8 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
  3 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0247289

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(C)C(O)=C(C(=O)CCC2=C(OC(=O)C3=CC=CC=C3)C(C)=C3OC(=CC(=O)C3=C2O)C2=CC=CC=C2)C(O)=C1C=O

> <INCHI_IDENTIFIER>
InChI=1S/C35H28O10/c1-18-29(39)27(31(41)23(17-36)32(18)43-3)24(37)15-14-22-30(40)28-25(38)16-26(20-10-6-4-7-11-20)44-34(28)19(2)33(22)45-35(42)21-12-8-5-9-13-21/h4-13,16-17,39-41H,14-15H2,1-3H3

> <INCHI_KEY>
ANWNMUFZSRAURP-UHFFFAOYSA-N

> <FORMULA>
C35H28O10

> <MOLECULAR_WEIGHT>
608.599

> <EXACT_MASS>
608.168247102

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
63.28942983040605

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenyl-4H-chromen-7-yl benzoate

> <JCHEM_LOGP>
8.736354407333334

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.731621765025468

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.092802724977019

> <JCHEM_PKA_STRONGEST_BASIC>
-4.629403729920555

> <JCHEM_POLAR_SURFACE_AREA>
156.66000000000003

> <JCHEM_REFRACTIVITY>
167.57210000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.334 -11.550   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -4.001  -6.930   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   43                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   41                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   39                                                  
CONECT   14   13   15   24                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   18                                                       
CONECT   24   14   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   38                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   35                                                  
CONECT   29   28   30   34                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   29                                                       
CONECT   35   28   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   26   39                                                  
CONECT   39   38   13   40                                                  
CONECT   40   39                                                            
CONECT   41    8   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41    3   44                                                  
CONECT   44   43   45                                                       
CONECT   45   44                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   98    0
END

View in JSmol

Synonyms

Value	Source
6-[3-(3-Formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenyl-4H-chromen-7-yl benzoic acid	Generator

Chemical Formula

C₃₅H₂₈O₁₀

Average Mass

608.5990 Da

Monoisotopic Mass

608.16825 Da

IUPAC Name

6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenyl-4H-chromen-7-yl benzoate

Traditional Name

6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate

CAS Registry Number

Not Available

SMILES

COC1=C(C)C(O)=C(C(=O)CCC2=C(OC(=O)C3=CC=CC=C3)C(C)=C3OC(=CC(=O)C3=C2O)C2=CC=CC=C2)C(O)=C1C=O

InChI Identifier

InChI=1S/C35H28O10/c1-18-29(39)27(31(41)23(17-36)32(18)43-3)24(37)15-14-22-30(40)28-25(38)16-26(20-10-6-4-7-11-20)44-34(28)19(2)33(22)45-35(42)21-12-8-5-9-13-21/h4-13,16-17,39-41H,14-15H2,1-3H3

InChI Key

ANWNMUFZSRAURP-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Desmos chinensis	LOTUS Database	35616633

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

Substituents

5-hydroxyflavonoid
Flavone
Hydroxyflavonoid
2'-hydroxy-dihydrochalcone
Alkyl-phenylketone
Chromone
Butyrophenone
Methoxyphenol
Benzopyran
Benzoate ester
1-benzopyran
Phenylketone
Hydroxybenzaldehyde
Benzoic acid or derivatives
Phenoxy compound
Anisole
Benzaldehyde
Benzoyl
Methoxybenzene
O-cresol
P-cresol
Phenol ether
Aryl ketone
Aryl alkyl ketone
Resorcinol
Pyranone
Toluene
Aryl-aldehyde
Alkyl aryl ether
Phenol
Pyran
Monocyclic benzene moiety
Benzenoid
Heteroaromatic compound
Vinylogous acid
Ketone
Carboxylic acid ester
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Oxacycle
Ether
Organooxygen compound
Aldehyde
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic heteropolycyclic compound

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	8.74	ChemAxon
pKa (Strongest Acidic)	7.09	ChemAxon
pKa (Strongest Basic)	-4.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	156.66 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	167.57 m³·mol⁻¹	ChemAxon
Polarizability	63.29 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

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

162868989

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate (NP0247289)

MOL for NP0247289 (6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate)

3D MOL for NP0247289 (6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate)

3D SDF for NP0247289 (6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate)

3D-SDF for NP0247289 (6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate)

PDB for NP0247289 (6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate)

3D PDB for NP0247289 (6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate)

SMILES for NP0247289 (6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate)

INCHI for NP0247289 (6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate)

Structure for NP0247289 (6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate)

3D Structure for NP0247289 (6-[3-(3-formyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)-3-oxopropyl]-5-hydroxy-8-methyl-4-oxo-2-phenylchromen-7-yl benzoate)