NP-MRD: Showing NP-Card for [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate (NP0251562)

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Record Information

Version

2.0

Created at

2022-09-07 14:47:26 UTC

Updated at

2022-09-07 14:47:26 UTC

NP-MRD ID

NP0251562

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate

Description

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({2-[(8R,9S)-9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin. [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate is found in Heracleum yungningense. Based on a literature review very few articles have been published on [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({2-[(8R,9S)-9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072216472D          

 33 36  0  0  1  0            999 V2000
   -2.2731    1.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5461    1.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449    2.0144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204    0.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7934    0.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676   -0.4593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0406   -0.8493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0148   -1.6739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7122   -2.0639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4134   -1.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8480   -2.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9788   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147   -1.1947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1752   -0.3719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9765   -0.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3664    0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1910    0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6256   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4502   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8849   -0.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4949   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9295   -2.2275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6703   -1.5520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2357   -0.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4111   -0.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784   -1.5066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0751   -2.3078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161   -2.1085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6903   -2.9331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4431   -1.7186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1443   -2.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4688   -0.8940    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1958   -0.5040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  1  0  0  0
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  8  9  1  1  0  0  0
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 30 32  1  0  0  0  0
  6 32  1  0  0  0  0
 32 33  1  6  0  0  0
M  END

     RDKit          3D

 59 62  0  0  0  0  0  0  0  0999 V2000
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   -1.0338   -0.3419   -0.9615 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5069    0.9189   -0.6815 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5096    1.8562   -0.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4478    3.2186   -0.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6017    3.9750    0.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8216    3.3509   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9703    4.0613    0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2221    3.4346    0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1911    2.0816   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3136    1.4774   -0.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0707    1.4302   -0.2776 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8760    1.9967   -0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7272    1.2533   -0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5078   -0.1846   -0.7531 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0302   -0.9169    0.2771 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7577   -1.5381   -2.1383 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0449   -2.6247   -0.9771 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9316   -3.4683    0.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7993   -0.5871   -2.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5133    5.0392    0.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9736    5.1363    0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1310    3.9773    0.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0242   -0.3827   -1.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 34  1  0
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 31 57  1  0
 32 58  1  6
 33 59  1  0
M  END


  Mrv1652309072216472D          

 33 36  0  0  1  0            999 V2000
   -2.2731    1.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5461    1.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449    2.0144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204    0.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7934    0.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676   -0.4593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0406   -0.8493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0148   -1.6739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.7161   -2.1085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -1.4688   -0.8940    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 32 33  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0251562

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC[C@H]1O[C@@H](OC(C)(C)[C@@H]2OC3=CC=C4C=CC(=O)OC4=C3[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C22H26O11/c1-9(23)29-8-12-15(25)17(27)18(28)21(31-12)33-22(2,3)20-16(26)14-11(30-20)6-4-10-5-7-13(24)32-19(10)14/h4-7,12,15-18,20-21,25-28H,8H2,1-3H3/t12-,15-,16+,17+,18-,20-,21+/m1/s1

> <INCHI_KEY>
AHCPYYIOZJJOHY-RWSKVKJDSA-N

> <FORMULA>
C22H26O11

> <MOLECULAR_WEIGHT>
466.439

> <EXACT_MASS>
466.147511657

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
45.28340424075202

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({2-[(8R,9S)-9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate

> <JCHEM_LOGP>
-0.5163127753333328

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.773905099574431

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.118027228599736

> <JCHEM_PKA_STRONGEST_BASIC>
-3.649085255357983

> <JCHEM_POLAR_SURFACE_AREA>
161.21

> <JCHEM_REFRACTIVITY>
109.11319999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({2-[(8R,9S)-9-hydroxy-2-oxo-8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate

> <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      -4.243   3.677   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.886   2.949   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.577   3.760   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -2.838   1.410   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -1.481   0.682   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.433  -0.857   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.076  -1.585   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -0.028  -3.125   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.329  -3.853   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.638  -3.041   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.450  -4.350   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.827  -1.732   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.947  -2.230   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.060  -0.694   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       5.556  -0.327   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.284   1.030   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.823   1.078   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.635  -0.231   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.174  -0.183   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      10.985  -1.492   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.257  -2.849   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      11.068  -4.158   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       8.718  -2.897   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       7.907  -1.588   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.367  -1.636   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.373  -2.812   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       5.740  -4.308   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -1.337  -3.936   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -1.289  -5.475   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -2.694  -3.208   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -4.003  -4.019   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -2.742  -1.669   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -4.099  -0.941   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   32                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   28                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13   10   14   26                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   25                                                  
CONECT   16   15   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   25                                                  
CONECT   25   24   15   26                                                  
CONECT   26   25   13   27                                                  
CONECT   27   26                                                            
CONECT   28    8   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30    6   33                                                  
CONECT   33   32                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

View in JSmol

Synonyms

Value	Source
[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-({2-[(8R,9S)-9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-H]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetic acid	Generator

Chemical Formula

C₂₂H₂₆O₁₁

Average Mass

466.4390 Da

Monoisotopic Mass

466.14751 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(=O)OC[C@H]1O[C@@H](OC(C)(C)[C@@H]2OC3=CC=C4C=CC(=O)OC4=C3[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C22H26O11/c1-9(23)29-8-12-15(25)17(27)18(28)21(31-12)33-22(2,3)20-16(26)14-11(30-20)6-4-10-5-7-13(24)32-19(10)14/h4-7,12,15-18,20-21,25-28H,8H2,1-3H3/t12-,15-,16+,17+,18-,20-,21+/m1/s1

InChI Key

AHCPYYIOZJJOHY-RWSKVKJDSA-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
Heracleum yungningense	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Sub Class

Furanocoumarins

Direct Parent

Angular furanocoumarins

Alternative Parents

Substituents

Angular furanocoumarin
O-glycosyl compound
Glycosyl compound
1-benzopyran
Benzopyran
Coumaran
Pyranone
Alkyl aryl ether
Benzenoid
Pyran
Oxane
Monosaccharide
Heteroaromatic compound
Secondary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Polyol
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
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

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

163027305

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate (NP0251562)

MOL for NP0251562 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate)

3D MOL for NP0251562 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate)

3D SDF for NP0251562 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate)

3D-SDF for NP0251562 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate)

PDB for NP0251562 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate)

3D PDB for NP0251562 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate)

SMILES for NP0251562 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate)

INCHI for NP0251562 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate)

Structure for NP0251562 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate)

3D Structure for NP0251562 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({2-[(8r,9s)-9-hydroxy-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl}oxy)oxan-2-yl]methyl acetate)