NP-MRD: Showing NP-Card for (9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione (NP0180262)

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Record Information

Version

2.0

Created at

2022-09-03 18:36:08 UTC

Updated at

2022-09-03 18:36:09 UTC

NP-MRD ID

NP0180262

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione

Description

N-Glucosylrubropunctamine belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). (9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione was first documented in 1997 (PMID: 16535644). Based on a literature review very few articles have been published on N-Glucosylrubropunctamine.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309032220362D          

 37 40  0  0  1  0            999 V2000
   -4.9699    5.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7149    4.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2670    3.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0120    3.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2051    2.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9501    2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1432    1.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8882    1.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    2.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0089    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7233    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1523    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6077   -0.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0277   -0.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402    0.5155    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9252   -0.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2472    0.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7992    0.0739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5022    1.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3091    1.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5641    2.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3710    2.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9231    1.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7300    2.1577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.2821    1.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0271    0.7600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9850    2.9423    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.7920    3.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4329    3.5554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6879    4.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6260    3.3839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0739    3.9970    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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
  4 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  6  0  0  0
 34 36  1  0  0  0  0
 27 36  1  0  0  0  0
 36 37  1  1  0  0  0
M  END


  Mrv1652309032220362D          

 37 40  0  0  1  0            999 V2000
   -4.9699    5.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7149    4.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2670    3.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0120    3.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2051    2.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9501    2.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1432    1.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8882    1.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201    2.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0089    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7233    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1523    0.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6077   -0.5795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0277   -0.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402    0.5155    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9252   -0.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2472    0.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7992    0.0739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5022    1.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3091    1.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5641    2.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3710    2.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9231    1.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7300    2.1577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.2821    1.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0271    0.7600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9850    2.9423    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.7920    3.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4329    3.5554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6879    4.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6260    3.3839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0739    3.9970    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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
  4 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  1  0  0  0
 32 34  1  0  0  0  0
 34 35  1  6  0  0  0
 34 36  1  0  0  0  0
 27 36  1  0  0  0  0
 36 37  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0180262

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC(=O)C1=C2C=C3C=C(\C=C\C)N(C=C3C(=O)[C@]2(C)OC1=O)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H33NO9/c1-4-6-7-9-18(30)20-17-11-14-10-15(8-5-2)28(12-16(14)24(34)27(17,3)37-26(20)35)25-23(33)22(32)21(31)19(13-29)36-25/h5,8,10-12,19,21-23,25,29,31-33H,4,6-7,9,13H2,1-3H3/b8-5+/t19-,21-,22+,23-,25?,27-/m1/s1

> <INCHI_KEY>
IIBUEQHHHKZBET-COLOBQDGSA-N

> <FORMULA>
C27H33NO9

> <MOLECULAR_WEIGHT>
515.559

> <EXACT_MASS>
515.215531647

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
55.51437791673852

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(9aR)-3-hexanoyl-9a-methyl-6-[(1E)-prop-1-en-1-yl]-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2H,7H,9H,9aH-furo[3,2-g]isoquinoline-2,9-dione

> <JCHEM_LOGP>
1.2989107283333325

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.328915692959754

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.43940899853719

> <JCHEM_PKA_STRONGEST_BASIC>
-2.980264627971385

> <JCHEM_POLAR_SURFACE_AREA>
153.83

> <JCHEM_REFRACTIVITY>
135.915

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(9aR)-3-hexanoyl-9a-methyl-6-[(1E)-prop-1-en-1-yl]-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione

> <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      -9.277   9.750   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.801   8.285   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -9.832   7.141   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -9.356   5.676   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.849   5.356   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.374   3.891   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.867   3.571   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.391   2.107   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.984   1.480   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.651   2.250   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.651   3.790   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.317   1.480   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.017   2.250   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.350   1.480   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.684   2.250   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.018   1.480   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.145  -0.051   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -3.001  -1.082   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -5.652  -0.371   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -6.422   0.962   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -7.327  -0.284   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -7.928   1.282   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -8.959   0.138   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -8.404   2.747   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -9.910   3.067   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0     -10.386   4.532   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0     -11.893   4.852   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0     -12.923   3.708   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0     -14.429   4.028   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -15.460   2.883   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0     -14.984   1.419   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0     -14.905   5.492   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0     -16.412   5.813   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0     -13.875   6.637   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0     -14.351   8.101   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0     -12.368   6.317   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0     -11.338   7.461   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   26                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   24                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   20                                                  
CONECT    9    8   10   17                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17    9   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19    8   21   22                                             
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22    6   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25    4   27                                                  
CONECT   27   26   28   36                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   29   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   27   37                                                  
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₃₃NO₉

Average Mass

515.5590 Da

Monoisotopic Mass

515.21553 Da

IUPAC Name

(9aR)-3-hexanoyl-9a-methyl-6-[(1E)-prop-1-en-1-yl]-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2H,7H,9H,9aH-furo[3,2-g]isoquinoline-2,9-dione

Traditional Name

(9aR)-3-hexanoyl-9a-methyl-6-[(1E)-prop-1-en-1-yl]-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione

CAS Registry Number

Not Available

SMILES

CCCCCC(=O)C1=C2C=C3C=C(\C=C\C)N(C=C3C(=O)[C@]2(C)OC1=O)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C27H33NO9/c1-4-6-7-9-18(30)20-17-11-14-10-15(8-5-2)28(12-16(14)24(34)27(17,3)37-26(20)35)25-23(33)22(32)21(31)19(13-29)36-25/h5,8,10-12,19,21-23,25,29,31-33H,4,6-7,9,13H2,1-3H3/b8-5+/t19-,21-,22+,23-,25?,27-/m1/s1

InChI Key

IIBUEQHHHKZBET-COLOBQDGSA-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 glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Glycosylamines

Alternative Parents

Substituents

Hexose monosaccharide
N-glycosyl compound
Tetrahydroisoquinoline
Dihydropyridine
Cyclohexenone
Alpha-acyloxy ketone
2-furanone
Monosaccharide
Oxane
Vinylogous amide
Dihydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Ketone
Lactone
Secondary alcohol
Monocarboxylic acid or derivatives
Azacycle
Oxacycle
Enamine
Carboxylic acid derivative
Organoheterocyclic compound
Polyol
Organic oxide
Organic nitrogen compound
Alcohol
Amine
Hydrocarbon derivative
Carbonyl group
Organonitrogen compound
Primary alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	1.3	ChemAxon
pKa (Strongest Acidic)	12.44	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	153.83 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	135.92 m³·mol⁻¹	ChemAxon
Polarizability	55.51 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	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

101713082

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Hajjaj H, Klaebe A, Loret MO, Tzedakis T, Goma G, Blanc PJ: Production and Identification of N-Glucosylrubropunctamine and N-Glucosylmonascorubramine from Monascus ruber and Occurrence of Electron Donor-Acceptor Complexes in These Red Pigments. Appl Environ Microbiol. 1997 Jul;63(7):2671-8. doi: 10.1128/aem.63.7.2671-2678.1997. [PubMed:16535644 ]
LOTUS database [Link]

Showing NP-Card for (9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione (NP0180262)

MOL for NP0180262 ((9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione)

3D MOL for NP0180262 ((9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione)

3D SDF for NP0180262 ((9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione)

3D-SDF for NP0180262 ((9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione)

PDB for NP0180262 ((9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione)

3D PDB for NP0180262 ((9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione)

SMILES for NP0180262 ((9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione)

INCHI for NP0180262 ((9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione)

Structure for NP0180262 ((9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione)

3D Structure for NP0180262 ((9ar)-3-hexanoyl-9a-methyl-6-[(1e)-prop-1-en-1-yl]-7-[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]furo[3,2-g]isoquinoline-2,9-dione)