NP-MRD: Showing NP-Card for 3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol (NP0173884)

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Record Information

Version

2.0

Created at

2022-09-03 11:04:35 UTC

Updated at

2022-09-03 11:04:35 UTC

NP-MRD ID

NP0173884

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol

Description

3-{[(3S)-10-hydroxy-9-methoxy-3-methyl-1H,3H,4H-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. 3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol is found in Conoideocrella luteorostrata. Based on a literature review very few articles have been published on 3-{[(3S)-10-hydroxy-9-methoxy-3-methyl-1H,3H,4H-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032213042D          

 31 34  0  0  1  0            999 V2000
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    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
   -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
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    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
   -5.0013   -0.4125    0.0000 O   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
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    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
   -2.1434   -1.2375    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   -2.8875    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
    1.4289   -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
    0.7145   -0.4125    0.0000 O   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
    2.1434   -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
    2.8579   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  7 17  1  0  0  0  0
 17 18  1  0  0  0  0
  5 19  1  0  0  0  0
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  3 26  2  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 22 31  1  0  0  0  0
M  END

     RDKit          3D

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    5.9762    0.7424    1.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9174    0.0851    1.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6277    0.2374    1.1835 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1525   -0.7831    2.0315 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9264    1.0748    0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2000    0.5420    0.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3017    1.2674    0.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5815    0.7807    0.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7814   -0.4059    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6976   -1.1656   -0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9282   -2.3368   -0.9849 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4033   -0.6632   -0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1600   -0.8949   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9126    0.1668   -0.4882 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.3042    1.3210    1.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8047    1.4942    1.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5282   -4.1660   -2.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7557    1.1865    1.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9523   -1.3032    2.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8466    2.0304    1.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1703    2.1947    1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3883   -2.9988   -1.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5626   -1.4027    0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1916   -1.6633   -0.8657 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.5355    0.4056    1.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
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 18 48  1  0
M  END


  Mrv1652309032213042D          

 31 34  0  0  1  0            999 V2000
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    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
   -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
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    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
   -5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    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
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    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
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  8  9  1  0  0  0  0
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  5 19  1  0  0  0  0
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M  END
> <DATABASE_ID>
NP0173884

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1C(CO)OC(O)C(OC2=CC(OC)=C3C(O)=C4CO[C@@H](C)CC4=CC3=C2)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C22H28O9/c1-10-4-11-5-12-6-13(7-15(27-2)17(12)18(24)14(11)9-29-10)30-21-19(25)20(28-3)16(8-23)31-22(21)26/h5-7,10,16,19-26H,4,8-9H2,1-3H3/t10-,16?,19?,20?,21?,22?/m0/s1

> <INCHI_KEY>
RBGCWNKNCPAXOP-FNPWKDEXSA-N

> <FORMULA>
C22H28O9

> <MOLECULAR_WEIGHT>
436.457

> <EXACT_MASS>
436.173332482

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
45.50640499621879

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-{[(3S)-10-hydroxy-9-methoxy-3-methyl-1H,3H,4H-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol

> <ALOGPS_LOGP>
0.67

> <JCHEM_LOGP>
0.9052193413333336

> <ALOGPS_LOGS>
-2.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.315959892789435

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.483441411391185

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981288738184827

> <JCHEM_POLAR_SURFACE_AREA>
127.07000000000002

> <JCHEM_REFRACTIVITY>
109.12429999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.52e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[(3S)-10-hydroxy-9-methoxy-3-methyl-1H,3H,4H-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.334  -0.770   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      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   26                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   19                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   17                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14    7   18                                                  
CONECT   18   17                                                            
CONECT   19    5   20                                                       
CONECT   20   19   21   26                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   31                                                  
CONECT   23   22   24   27                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24    3   20                                                  
CONECT   27   23   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   22                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₂₈O₉

Average Mass

436.4570 Da

Monoisotopic Mass

436.17333 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1C(CO)OC(O)C(OC2=CC(OC)=C3C(O)=C4CO[C@@H](C)CC4=CC3=C2)C1O

InChI Identifier

InChI=1S/C22H28O9/c1-10-4-11-5-12-6-13(7-15(27-2)17(12)18(24)14(11)9-29-10)30-21-19(25)20(28-3)16(8-23)31-22(21)26/h5-7,10,16,19-26H,4,8-9H2,1-3H3/t10-,16?,19?,20?,21?,22?/m0/s1

InChI Key

RBGCWNKNCPAXOP-FNPWKDEXSA-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
Conoideocrella luteorostrata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as naphthopyrans. Naphthopyrans are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Naphthopyrans

Sub Class

Not Available

Direct Parent

Naphthopyrans

Alternative Parents

Substituents

Naphthopyran
1-naphthol
2-benzopyran
Naphthalene
Isochromane
Benzopyran
Anisole
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Pyran
Oxane
Monosaccharide
Secondary alcohol
Hemiacetal
Oxacycle
Ether
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
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

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

78445076

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139584177

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol (NP0173884)

MOL for NP0173884 (3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol)

3D MOL for NP0173884 (3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol)

3D SDF for NP0173884 (3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol)

3D-SDF for NP0173884 (3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol)

PDB for NP0173884 (3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol)

3D PDB for NP0173884 (3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol)

SMILES for NP0173884 (3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol)

INCHI for NP0173884 (3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol)

Structure for NP0173884 (3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol)

3D Structure for NP0173884 (3-{[(3s)-10-hydroxy-9-methoxy-3-methyl-1h,3h,4h-naphtho[2,3-c]pyran-7-yl]oxy}-6-(hydroxymethyl)-5-methoxyoxane-2,4-diol)