NP-MRD: Showing NP-Card for (2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate (NP0199674)

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Record Information

Version

2.0

Created at

2022-09-04 18:21:36 UTC

Updated at

2022-09-04 18:21:36 UTC

NP-MRD ID

NP0199674

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate

Description

3'-[3-O-(trans-Cinnamoyl)-beta-D-glucopyranosyloxy]-4',5-dihydroxy-7-methoxyisoflavone belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. (2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate is found in Pterocarpus santalinus. Based on a literature review very few articles have been published on 3'-[3-O-(trans-Cinnamoyl)-beta-D-glucopyranosyloxy]-4',5-dihydroxy-7-methoxyisoflavone.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042220212D          

 43 47  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309042220212D          

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   12.8605   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 O   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 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  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
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  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
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 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
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 31 36  1  0  0  0  0
 25 37  1  0  0  0  0
 18 37  1  0  0  0  0
 37 38  1  1  0  0  0
 16 39  2  0  0  0  0
 11 39  1  0  0  0  0
 10 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
  7 42  1  0  0  0  0
 42 43  2  0  0  0  0
  3 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0199674

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=C2C(OC=C(C2=O)C2=CC=C(O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)\C=C\C4=CC=CC=C4)[C@H]3O)=C2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C31H28O12/c1-39-18-12-21(34)26-23(13-18)40-15-19(27(26)36)17-8-9-20(33)22(11-17)41-31-29(38)30(28(37)24(14-32)42-31)43-25(35)10-7-16-5-3-2-4-6-16/h2-13,15,24,28-34,37-38H,14H2,1H3/b10-7+/t24-,28-,29-,30+,31-/m1/s1

> <INCHI_KEY>
NZDCPGVUPNQJKH-NASVKGIYSA-N

> <FORMULA>
C31H28O12

> <MOLECULAR_WEIGHT>
592.553

> <EXACT_MASS>
592.158076342

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
58.99079125188095

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2E)-3-phenylprop-2-enoate

> <JCHEM_LOGP>
3.6850237486666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.296690391631108

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.328382796815377

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981111835241099

> <JCHEM_POLAR_SURFACE_AREA>
181.44

> <JCHEM_REFRACTIVITY>
149.85820000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2E)-3-phenylprop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      12.003  -0.770   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      13.337  -0.000   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      13.337   1.540   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      14.670   2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      14.670   3.850   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      16.004   4.620   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      16.004   1.540   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      17.338   2.310   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      16.004  -0.000   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      17.338  -0.770   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      18.672  -0.000   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      18.672   1.540   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      20.005  -0.770   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      21.339  -0.000   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      22.673  -0.770   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      24.006  -0.000   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      25.340  -0.770   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      25.340  -2.310   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      24.006  -3.080   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      22.673  -2.310   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      14.670  -0.770   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      14.670  -2.310   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   43                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   42                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   40                                                  
CONECT   11   10   12   39                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   39                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   37                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   37                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   31                                                       
CONECT   37   25   18   38                                                  
CONECT   38   37                                                            
CONECT   39   16   11                                                       
CONECT   40   10   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41    7   43                                                  
CONECT   43   42    3                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

View in JSmol

Synonyms

Value	Source
3'-[3-O-(trans-Cinnamoyl)-b-D-glucopyranosyloxy]-4',5-dihydroxy-7-methoxyisoflavone	Generator
3'-[3-O-(trans-Cinnamoyl)-β-D-glucopyranosyloxy]-4',5-dihydroxy-7-methoxyisoflavone	Generator

Chemical Formula

C₃₁H₂₈O₁₂

Average Mass

592.5530 Da

Monoisotopic Mass

592.15808 Da

IUPAC Name

(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2E)-3-phenylprop-2-enoate

Traditional Name

(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2E)-3-phenylprop-2-enoate

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=C2C(OC=C(C2=O)C2=CC=C(O)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)\C=C\C4=CC=CC=C4)[C@H]3O)=C2)=C1

InChI Identifier

InChI=1S/C31H28O12/c1-39-18-12-21(34)26-23(13-18)40-15-19(27(26)36)17-8-9-20(33)22(11-17)41-31-29(38)30(28(37)24(14-32)42-31)43-25(35)10-7-16-5-3-2-4-6-16/h2-13,15,24,28-34,37-38H,14H2,1H3/b10-7+/t24-,28-,29-,30+,31-/m1/s1

InChI Key

NZDCPGVUPNQJKH-NASVKGIYSA-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
Pterocarpus santalinus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflavonoid O-glycosides

Direct Parent

Isoflavonoid O-glycosides

Alternative Parents

Substituents

Isoflavonoid-3p-o-glycoside
Isoflavonoid o-glycoside
7-o-methylisoflavone
Hydroxyisoflavonoid
Isoflavone
Phenolic glycoside
Cinnamic acid or derivatives
Hexose monosaccharide
Cinnamic acid ester
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Phenoxy compound
Anisole
Phenol ether
Styrene
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Phenol
Pyranone
Alkyl aryl ether
Pyran
Oxane
Benzenoid
Monocyclic benzene moiety
Monosaccharide
Fatty acyl
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Vinylogous acid
Heteroaromatic compound
Carboxylic acid ester
Secondary alcohol
Acetal
Carboxylic acid derivative
Ether
Organoheterocyclic compound
Oxacycle
Monocarboxylic acid or derivatives
Primary alcohol
Carbonyl group
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
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	3.69	ChemAxon
pKa (Strongest Acidic)	7.33	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	181.44 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	149.86 m³·mol⁻¹	ChemAxon
Polarizability	58.99 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

8874033

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10698691

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate (NP0199674)

MOL for NP0199674 ((2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate)

3D MOL for NP0199674 ((2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate)

3D SDF for NP0199674 ((2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate)

3D-SDF for NP0199674 ((2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate)

PDB for NP0199674 ((2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate)

3D PDB for NP0199674 ((2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate)

SMILES for NP0199674 ((2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate)

INCHI for NP0199674 ((2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate)

Structure for NP0199674 ((2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate)

3D Structure for NP0199674 ((2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-3-yl)phenoxy]-6-(hydroxymethyl)oxan-4-yl (2e)-3-phenylprop-2-enoate)