NP-MRD: Showing NP-Card for 8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one (NP0231173)

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Record Information

Version

2.0

Created at

2022-09-06 11:54:26 UTC

Updated at

2022-09-06 11:54:27 UTC

NP-MRD ID

NP0231173

Secondary Accession Numbers

None

Natural Product Identification

Common Name

8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one

Description

8-(4,8-Dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1H,2H,3H,6H,7H,8H,9H-cyclohexa[e]isoindol-3-one belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. 8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one is found in Stachybotrys longispora. Based on a literature review very few articles have been published on 8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1H,2H,3H,6H,7H,8H,9H-cyclohexa[e]isoindol-3-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062213542D          

 35 38  0  0  0  0            999 V2000
    5.3700    7.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4878    6.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2538    5.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    5.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9574    4.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3091    4.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269    3.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    3.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7787    3.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8965    2.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6626    1.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7804    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5641    1.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9558    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5212    0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9112   -0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666   -1.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2620   -0.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    0.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1640    1.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    0.7822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6989    1.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0281    0.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7293    1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7035    2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0235    2.4760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7247    2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    2.4314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4608   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307   -0.5732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7358   -0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1704    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9950    0.3610    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
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  4  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  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
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 31  1  0  0  0  0
 20 31  1  0  0  0  0
 31 32  2  0  0  0  0
 16 33  1  0  0  0  0
 33 34  1  0  0  0  0
 12 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END


  Mrv1652309062213542D          

 35 38  0  0  0  0            999 V2000
    5.3700    7.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4878    6.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2538    5.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    5.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9574    4.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3091    4.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269    3.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    3.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7787    3.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8965    2.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6626    1.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7804    1.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5641    1.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9558    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5212    0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9112   -0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8666   -1.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520   -0.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2620   -0.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6966    0.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1640    1.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    0.7822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6989    1.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0281    0.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7293    1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7035    2.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0235    2.4760    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7247    2.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    2.4314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4608   -0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307   -0.5732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7358   -0.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1704    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9950    0.3610    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
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  4  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  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
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 31  1  0  0  0  0
 20 31  1  0  0  0  0
 31 32  2  0  0  0  0
 16 33  1  0  0  0  0
 33 34  1  0  0  0  0
 12 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0231173

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCCC(C)=CCCC1(C)CC2=C(CC1O)C(O)=CC1=C2CN(C2CCCN=C2O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H40N2O4/c1-18(2)8-5-9-19(3)10-6-12-29(4)16-22-20(15-26(29)33)25(32)14-21-23(22)17-31(28(21)35)24-11-7-13-30-27(24)34/h8,10,14,24,26,32-33H,5-7,9,11-13,15-17H2,1-4H3,(H,30,34)

> <INCHI_KEY>
IBCMWJUMZHAYIW-UHFFFAOYSA-N

> <FORMULA>
C29H40N2O4

> <MOLECULAR_WEIGHT>
480.649

> <EXACT_MASS>
480.298807776

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
56.18953651895053

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1H,2H,3H,6H,7H,8H,9H-cyclohexa[e]isoindol-3-one

> <JCHEM_LOGP>
3.9843714568377178

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.024754490588265

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.837405344216705

> <JCHEM_PKA_STRONGEST_BASIC>
5.469036781528628

> <JCHEM_POLAR_SURFACE_AREA>
93.36

> <JCHEM_REFRACTIVITY>
141.70339999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1H,6H,7H,9H-cyclohexa[e]isoindol-3-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      10.024  13.129   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.244  11.605   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.674  11.034   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.034  10.653   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.254   9.128   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.044   8.176   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.264   6.652   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.694   6.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.054   5.699   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.274   4.175   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.703   3.603   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.923   2.079   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.386   2.560   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.384   2.127   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.573   0.818   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.301  -0.539   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.490  -1.848   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.218  -3.205   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.950  -1.800   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.222  -0.443   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.034   0.866   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.039   2.042   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       2.614   1.460   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       1.305   2.271   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.052   1.543   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.361   2.355   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.313   3.894   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0       0.044   4.622   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0       1.353   3.811   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       2.710   4.539   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.727  -0.076   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       1.551  -1.070   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       8.840  -0.587   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.651   0.722   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      11.191   0.674   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                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14   34                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   21                                                  
CONECT   16   15   17   33                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   31                                                  
CONECT   21   20   15   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   31                                                  
CONECT   24   23   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   24   30                                                  
CONECT   30   29                                                            
CONECT   31   23   20   32                                                  
CONECT   32   31                                                            
CONECT   33   16   34                                                       
CONECT   34   33   12   35                                                  
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₄₀N₂O₄

Average Mass

480.6490 Da

Monoisotopic Mass

480.29881 Da

IUPAC Name

8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1H,2H,3H,6H,7H,8H,9H-cyclohexa[e]isoindol-3-one

Traditional Name

8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1H,6H,7H,9H-cyclohexa[e]isoindol-3-one

CAS Registry Number

Not Available

SMILES

CC(C)=CCCC(C)=CCCC1(C)CC2=C(CC1O)C(O)=CC1=C2CN(C2CCCN=C2O)C1=O

InChI Identifier

InChI=1S/C29H40N2O4/c1-18(2)8-5-9-19(3)10-6-12-29(4)16-22-20(15-26(29)33)25(32)14-21-23(22)17-31(28(21)35)24-11-7-13-30-27(24)34/h8,10,14,24,26,32-33H,5-7,9,11-13,15-17H2,1-4H3,(H,30,34)

InChI Key

IBCMWJUMZHAYIW-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Stachybotrys longispora	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isoindoles and derivatives

Sub Class

Isoindolines

Direct Parent

Isoindolones

Alternative Parents

Substituents

Tetralin
Monoterpenoid
Isoindolone
Aromatic monoterpenoid
Alpha-amino acid or derivatives
Isoindole
1-hydroxy-2-unsubstituted benzenoid
Piperidinone
Delta-lactam
Benzenoid
Piperidine
Tertiary carboxylic acid amide
Secondary carboxylic acid amide
Secondary alcohol
Lactam
Carboxamide group
Azacycle
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen 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
logP	3.98	ChemAxon
pKa (Strongest Acidic)	2.84	ChemAxon
pKa (Strongest Basic)	5.47	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	93.36 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	141.7 m³·mol⁻¹	ChemAxon
Polarizability	56.19 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

162815386

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one (NP0231173)

MOL for NP0231173 (8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one)

3D MOL for NP0231173 (8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one)

3D SDF for NP0231173 (8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one)

3D-SDF for NP0231173 (8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one)

PDB for NP0231173 (8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one)

3D PDB for NP0231173 (8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one)

SMILES for NP0231173 (8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one)

INCHI for NP0231173 (8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one)

Structure for NP0231173 (8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one)

3D Structure for NP0231173 (8-(4,8-dimethylnona-3,7-dien-1-yl)-5,7-dihydroxy-2-(2-hydroxy-3,4,5,6-tetrahydropyridin-3-yl)-8-methyl-1h,6h,7h,9h-cyclohexa[e]isoindol-3-one)