NP-MRD: Showing NP-Card for (2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one (NP0258360)

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Record Information

Version

2.0

Created at

2022-09-07 23:46:46 UTC

Updated at

2022-09-07 23:46:46 UTC

NP-MRD ID

NP0258360

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one

Description

(2S)-6-{[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one belongs to the class of organic compounds known as 8-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 8-position. (2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one is found in Physena madagascariensis. Based on a literature review very few articles have been published on (2S)-6-{[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082201462D          

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M  END

     RDKit          3D

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M  END


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M  END
> <DATABASE_ID>
NP0258360

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=C)CC[C@H](CC1=C(O)C(CC2=C(O)C(C[C@@H](CCC(C)=C)C(C)=C)=C3O[C@@H](CC(=O)C3=C2O)C2=CC=C(O)C=C2)=C(O)C2=C1O[C@@H](CC2=O)C1=CC=CC=C1)C(C)=C

> <INCHI_IDENTIFIER>
InChI=1S/C51H56O9/c1-27(2)14-16-33(29(5)6)22-38-46(55)36(48(57)44-40(53)25-42(59-50(38)44)31-12-10-9-11-13-31)24-37-47(56)39(23-34(30(7)8)17-15-28(3)4)51-45(49(37)58)41(54)26-43(60-51)32-18-20-35(52)21-19-32/h9-13,18-21,33-34,42-43,52,55-58H,1,3,5,7,14-17,22-26H2,2,4,6,8H3/t33-,34-,42+,43+/m1/s1

> <INCHI_KEY>
OYTXVGTUVWGDRJ-MGVKUUOKSA-N

> <FORMULA>
C51H56O9

> <MOLECULAR_WEIGHT>
813.0

> <EXACT_MASS>
812.392433383

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
116

> <JCHEM_AVERAGE_POLARIZABILITY>
88.93426458279507

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-6-{[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one

> <JCHEM_LOGP>
12.785527726000002

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
7.603302722835416

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.014743776480419

> <JCHEM_PKA_STRONGEST_BASIC>
-4.942690210499822

> <JCHEM_POLAR_SURFACE_AREA>
153.75

> <JCHEM_REFRACTIVITY>
235.97389999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-6-{[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0       3.415  -0.437   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.237  -1.967   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.707  -1.507   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.823  -2.578   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.481  -3.333   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.844  -2.549   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.186  -3.304   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.203  -4.844   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.174  -5.423   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -5.499  -4.638   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -4.191  -6.963   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.533  -7.718   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.858  -6.934   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.842  -5.394   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -6.200  -3.994   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -8.167  -4.609   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -8.150  -3.069   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.808  -2.314   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.483  -3.099   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.140  -2.343   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.815  -3.128   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.473  -2.373   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.832  -4.668   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.791  -0.774   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -5.449  -0.019   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -8.116   0.011   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -9.509  -5.364   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -9.526  -6.904   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -8.201  -7.689   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -8.217  -9.229   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0     -10.868  -7.660   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0     -10.885  -9.199   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0     -12.193  -6.875   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -12.176  -5.335   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -13.501  -4.550   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -14.843  -5.306   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -16.168  -4.521   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0     -16.151  -2.981   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0     -17.476  -2.197   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0     -14.809  -2.226   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0     -13.484  -3.010   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0     -10.834  -4.580   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -2.866  -7.748   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -2.883  -9.287   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      -1.524  -6.992   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -1.507  -5.452   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      -0.165  -4.697   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       1.160  -5.482   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       2.502  -4.726   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       2.519  -3.187   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       3.861  -2.431   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       5.186  -3.216   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       5.169  -4.756   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       3.827  -5.511   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       1.143  -7.022   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      -0.199  -7.777   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0      -0.216  -9.317   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0      -0.827  -1.009   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       0.515  -0.253   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      -2.152  -0.224   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   58                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   46                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   43                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   29                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   27                                                  
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                                                            
CONECT   24   18   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   16   28   42                                                  
CONECT   28   27   29   31                                                  
CONECT   29   28   13   30                                                  
CONECT   30   29                                                            
CONECT   31   28   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   42                                                  
CONECT   35   34   36   41                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   35                                                       
CONECT   42   34   27                                                       
CONECT   43   11   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46   56                                                  
CONECT   46   45    8   47                                                  
CONECT   47   46   48                                                       
CONECT   48   47   49   55                                                  
CONECT   49   48   50   54                                                  
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   49                                                       
CONECT   55   48   56                                                       
CONECT   56   55   45   57                                                  
CONECT   57   56                                                            
CONECT   58    6   59   60                                                  
CONECT   59   58                                                            
CONECT   60   58                                                            
MASTER        0    0    0    0    0    0    0    0   60    0  130    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₁H₅₆O₉

Average Mass

813.0000 Da

Monoisotopic Mass

812.39243 Da

IUPAC Name

Traditional Name

(2S)-6-{[(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one

CAS Registry Number

Not Available

SMILES

CC(=C)CC[C@H](CC1=C(O)C(CC2=C(O)C(C[C@@H](CCC(C)=C)C(C)=C)=C3O[C@@H](CC(=O)C3=C2O)C2=CC=C(O)C=C2)=C(O)C2=C1O[C@@H](CC2=O)C1=CC=CC=C1)C(C)=C

InChI Identifier

InChI=1S/C51H56O9/c1-27(2)14-16-33(29(5)6)22-38-46(55)36(48(57)44-40(53)25-42(59-50(38)44)31-12-10-9-11-13-31)24-37-47(56)39(23-34(30(7)8)17-15-28(3)4)51-45(49(37)58)41(54)26-43(60-51)32-18-20-35(52)21-19-32/h9-13,18-21,33-34,42-43,52,55-58H,1,3,5,7,14-17,22-26H2,2,4,6,8H3/t33-,34-,42+,43+/m1/s1

InChI Key

OYTXVGTUVWGDRJ-MGVKUUOKSA-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
Physena madagascariensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 8-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 8-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavans

Direct Parent

8-prenylated flavanones

Alternative Parents

Substituents

8-prenylated flavanone
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavanone
Hydroxyflavonoid
Chromone
Chromane
Benzopyran
1-benzopyran
Aryl alkyl ketone
Aryl ketone
Phenol
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Vinylogous acid
Ketone
Ether
Organoheterocyclic compound
Oxacycle
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
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	12.79	ChemAxon
pKa (Strongest Acidic)	6.01	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	153.75 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	235.97 m³·mol⁻¹	ChemAxon
Polarizability	88.93 Å³	ChemAxon
Number of Rings	6	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

10242698

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21606625

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one (NP0258360)

MOL for NP0258360 ((2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D MOL for NP0258360 ((2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D SDF for NP0258360 ((2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D-SDF for NP0258360 ((2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

PDB for NP0258360 ((2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D PDB for NP0258360 ((2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

SMILES for NP0258360 ((2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

INCHI for NP0258360 ((2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

Structure for NP0258360 ((2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one)

3D Structure for NP0258360 ((2s)-6-{[(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-4-oxo-2,3-dihydro-1-benzopyran-6-yl]methyl}-5,7-dihydroxy-8-[(2r)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one)