NP-MRD: Showing NP-Card for 3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2r,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol (NP0220253)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-05 21:30:45 UTC

Updated at

2022-09-05 21:30:45 UTC

NP-MRD ID

NP0220253

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2r,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol

Description

3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1R,2R,5R,6R)-2,5-dihydroxy-7-oxabicyclo[4.1.0]Heptan-2-yl]pyridine-2,4-diol belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. Based on a literature review very few articles have been published on 3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1R,2R,5R,6R)-2,5-dihydroxy-7-oxabicyclo[4.1.0]Heptan-2-yl]pyridine-2,4-diol.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052223302D          

 31 35  0  0  1  0            999 V2000
    6.8297    6.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1119    5.3898    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5816    4.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8637    3.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6762    3.8393    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2065    4.4713    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0190    4.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3011    3.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7708    2.9208    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0530    2.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9584    3.0641    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4281    2.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6156    2.5753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7102    1.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5227    1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3232    1.7131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8049    0.7383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2746    0.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    0.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9318   -0.3824    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4015    0.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6463   -0.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6463   -1.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9318   -2.0324    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9318   -2.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2173   -1.6199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5029   -1.2074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2173   -0.7949    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1799    1.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3675    1.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9243    5.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 28 27  1  1  0  0  0
 26 28  1  0  0  0  0
 20 28  1  0  0  0  0
 19 29  2  0  0  0  0
 14 29  1  0  0  0  0
 29 30  1  0  0  0  0
  6 31  1  0  0  0  0
  2 31  1  0  0  0  0
M  END


  Mrv1652309052223302D          

 31 35  0  0  1  0            999 V2000
    6.8297    6.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1119    5.3898    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5816    4.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8637    3.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6762    3.8393    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2065    4.4713    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0190    4.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3011    3.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7708    2.9208    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0530    2.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9584    3.0641    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4281    2.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6156    2.5753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7102    1.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5227    1.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3232    1.7131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8049    0.7383    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2746    0.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    0.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9318   -0.3824    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4015    0.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6463   -0.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6463   -1.6199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9318   -2.0324    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9318   -2.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2173   -1.6199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5029   -1.2074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2173   -0.7949    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1799    1.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3675    1.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9243    5.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 28 27  1  1  0  0  0
 26 28  1  0  0  0  0
 20 28  1  0  0  0  0
 19 29  2  0  0  0  0
 14 29  1  0  0  0  0
 29 30  1  0  0  0  0
  6 31  1  0  0  0  0
  2 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0220253

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1CC[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2C(=O)C1=C(O)N=CC(=C1O)[C@]1(O)CC[C@@H](O)[C@H]2O[C@@H]12

> <INCHI_IDENTIFIER>
InChI=1S/C24H31NO6/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)20(28)18-19(27)15(10-25-23(18)29)24(30)8-7-16(26)21-22(24)31-21/h4-5,10-14,16-17,21-22,26,30H,3,6-9H2,1-2H3,(H2,25,27,29)/t11-,12-,13-,14-,16+,17-,21+,22+,24+/m0/s1

> <INCHI_KEY>
YQTIWISENUYMQD-UOIYJLCQSA-N

> <FORMULA>
C24H31NO6

> <MOLECULAR_WEIGHT>
429.513

> <EXACT_MASS>
429.215137722

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
46.48002397265007

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1R,2R,5R,6R)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol

> <JCHEM_LOGP>
3.8182983973333338

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.740510151728799

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.178891266367918

> <JCHEM_PKA_STRONGEST_BASIC>
0.31707634503077187

> <JCHEM_POLAR_SURFACE_AREA>
123.41000000000003

> <JCHEM_REFRACTIVITY>
114.7863

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1R,2R,5R,6R)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      12.749  11.508   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.276  10.061   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.286   8.881   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.812   7.434   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.329   7.167   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      15.319   8.346   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.835   8.079   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      17.362   6.632   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      16.372   5.452   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.899   4.005   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.856   5.720   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.866   4.540   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      12.349   4.807   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      14.392   3.093   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.909   2.825   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      17.403   3.198   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      16.436   1.378   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      15.446   0.198   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      13.929   0.466   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.939  -0.714   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      11.949   0.466   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      14.273  -1.484   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.273  -3.024   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.939  -3.794   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      12.939  -5.334   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      11.606  -3.024   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      10.272  -2.254   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      11.606  -1.484   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.403   1.913   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      11.886   2.180   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      14.792   9.794   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   31                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    7   31                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    5   12                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   29                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   29                                                  
CONECT   20   19   21   22   28                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26   28                                                       
CONECT   28   27   26   20                                                  
CONECT   29   19   14   30                                                  
CONECT   30   29                                                            
CONECT   31    6    2                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   70    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₃₁NO₆

Average Mass

429.5130 Da

Monoisotopic Mass

429.21514 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]1CC[C@H]2[C@H](C1)C=C[C@H](C)[C@@H]2C(=O)C1=C(O)N=CC(=C1O)[C@]1(O)CC[C@@H](O)[C@H]2O[C@@H]12

InChI Identifier

InChI=1S/C24H31NO6/c1-11-3-6-14-13(9-11)5-4-12(2)17(14)20(28)18-19(27)15(10-25-23(18)29)24(30)8-7-16(26)21-22(24)31-21/h4-5,10-14,16-17,21-22,26,30H,3,6-9H2,1-2H3,(H2,25,27,29)/t11-,12-,13-,14-,16+,17-,21+,22+,24+/m0/s1

InChI Key

YQTIWISENUYMQD-UOIYJLCQSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Aryl alkyl ketones

Alternative Parents

Substituents

Aryl alkyl ketone
Dihydropyridine
Hydroxypyridine
Oxepane
Pyridinone
Hydropyridine
Pyridine
Cyclic alcohol
Heteroaromatic compound
Vinylogous amide
Vinylogous acid
Tertiary alcohol
Lactam
Secondary alcohol
Dialkyl ether
Oxirane
Ether
Oxacycle
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Organic oxide
Hydrocarbon derivative
Organonitrogen compound
Alcohol
Organopnictogen 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

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

23327542

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

23955854

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2r,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol (NP0220253)

MOL for NP0220253 (3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2r,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol)

3D MOL for NP0220253 (3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2r,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol)

3D SDF for NP0220253 (3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2r,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol)

3D-SDF for NP0220253 (3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2r,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol)

PDB for NP0220253 (3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2r,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol)

3D PDB for NP0220253 (3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2r,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol)

SMILES for NP0220253 (3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2r,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol)

INCHI for NP0220253 (3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2r,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol)

Structure for NP0220253 (3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2r,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol)

3D Structure for NP0220253 (3-[(1s,2s,4ar,6s,8as)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-5-[(1r,2r,5r,6r)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyridine-2,4-diol)