NP-MRD: Showing NP-Card for 2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one (NP0234746)

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Record Information

Version

2.0

Created at

2022-09-06 16:58:34 UTC

Updated at

2022-09-06 16:58:34 UTC

NP-MRD ID

NP0234746

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one

Description

2-Hydroxy-4-[(2Z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})-2H-chromen-2-ylidene]cyclohexa-2,5-dien-1-one belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. 2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one is found in Parthenocissus tricuspidata. 2-Hydroxy-4-[(2Z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})-2H-chromen-2-ylidene]cyclohexa-2,5-dien-1-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171513592D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004171513592D          

 43 47  0  0  0  0            999 V2000
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    3.5724   -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
    4.2868   -1.6500    0.0000 O   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
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   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
    0.0000   -1.6500    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
   -1.4289   -1.6500    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   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    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   -3.7125    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  3 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  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 16 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 15 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 13 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  2  0  0  0  0
 36 42  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0234746

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1OC(O)C(O)C(O)C1OC1=CC2=C(OC3C(O)C(O)C(O)OC3CO)C=C(O)C=C2O\C1=C1\C=CC(=O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O16/c28-7-17-24(19(33)21(35)26(37)42-17)40-15-5-10(30)4-14-11(15)6-16(23(39-14)9-1-2-12(31)13(32)3-9)41-25-18(8-29)43-27(38)22(36)20(25)34/h1-6,17-22,24-30,32-38H,7-8H2/b23-9-

> <INCHI_KEY>
LYWAGCLFSAPXQA-AQHIEDMUSA-N

> <FORMULA>
C27H30O16

> <MOLECULAR_WEIGHT>
610.521

> <EXACT_MASS>
610.153384886

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
58.35789807669012

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-hydroxy-4-[(2Z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})-2H-chromen-2-ylidene]cyclohexa-2,5-dien-1-one

> <ALOGPS_LOGP>
-0.80

> <JCHEM_LOGP>
-3.6525091173333344

> <ALOGPS_LOGS>
-2.35

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.190100332117293

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.489472156460847

> <JCHEM_PKA_STRONGEST_BASIC>
-3.690839961728237

> <JCHEM_POLAR_SURFACE_AREA>
265.5199999999999

> <JCHEM_REFRACTIVITY>
143.3206

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.72e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-hydroxy-4-[(2Z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.000   6.160   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    3   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   35                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   33                                                  
CONECT   16   15   17   29                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   26                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   18   27                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   16   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   15   34                                                  
CONECT   34   33   35                                                       
CONECT   35   34   13   36                                                  
CONECT   36   35   37   42                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   43                                                  
CONECT   42   41   36                                                       
CONECT   43   41                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₀O₁₆

Average Mass

610.5210 Da

Monoisotopic Mass

610.15338 Da

IUPAC Name

2-hydroxy-4-[(2Z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})-2H-chromen-2-ylidene]cyclohexa-2,5-dien-1-one

Traditional Name

2-hydroxy-4-[(2Z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one

CAS Registry Number

Not Available

SMILES

OCC1OC(O)C(O)C(O)C1OC1=CC2=C(OC3C(O)C(O)C(O)OC3CO)C=C(O)C=C2O\C1=C1\C=CC(=O)C(O)=C1

InChI Identifier

InChI=1S/C27H30O16/c28-7-17-24(19(33)21(35)26(37)42-17)40-15-5-10(30)4-14-11(15)6-16(23(39-14)9-1-2-12(31)13(32)3-9)41-25-18(8-29)43-27(38)22(36)20(25)34/h1-6,17-22,24-30,32-38H,7-8H2/b23-9-

InChI Key

LYWAGCLFSAPXQA-AQHIEDMUSA-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
Parthenocissus tricuspidata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexoses

Alternative Parents

Substituents

Hexose monosaccharide
1-benzopyran
Benzopyran
Quinomethane
P-quinomethane
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Oxane
Cyclic ketone
Secondary alcohol
Ketone
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Enol
Organic oxide
Hydrocarbon derivative
Primary alcohol
Carbonyl group
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	-0.8	ALOGPS
logP	-3.7	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	8.49	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	265.52 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	143.32 m³·mol⁻¹	ChemAxon
Polarizability	58.36 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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one (NP0234746)

MOL for NP0234746 (2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one)

3D MOL for NP0234746 (2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one)

3D SDF for NP0234746 (2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one)

3D-SDF for NP0234746 (2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one)

PDB for NP0234746 (2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one)

3D PDB for NP0234746 (2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one)

SMILES for NP0234746 (2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one)

INCHI for NP0234746 (2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one)

Structure for NP0234746 (2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one)

3D Structure for NP0234746 (2-hydroxy-4-[(2z)-7-hydroxy-3,5-bis({[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy})chromen-2-ylidene]cyclohexa-2,5-dien-1-one)