NP-MRD: Showing NP-Card for 2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid (NP0249739)

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Record Information

Version

2.0

Created at

2022-09-07 12:23:28 UTC

Updated at

2022-09-07 12:23:28 UTC

NP-MRD ID

NP0249739

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid

Description

2-[3-Hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)-2H,7H,9H,9aH-furo[3,2-g]isoquinolin-7-yl]pentanedioic acid belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Based on a literature review very few articles have been published on 2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)-2H,7H,9H,9aH-furo[3,2-g]isoquinolin-7-yl]pentanedioic acid.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309072214232D          

 35 37  0  0  0  0            999 V2000
    3.5724   -2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -1.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -1.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6619    0.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4904    1.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7057    1.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1035    1.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9319    2.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5450    3.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3735    3.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9866    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4156    0.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1300    0.5499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3293   -0.6831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0073   -1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -1.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -2.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -1.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -2.2836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -2.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  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  0  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  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 27 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END


  Mrv1652309072214232D          

 35 37  0  0  0  0            999 V2000
    3.5724   -2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -1.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -1.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -0.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6619    0.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4904    1.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7057    1.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1035    1.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9319    2.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5450    3.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3735    3.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9866    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4156    0.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1300    0.5499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3293   -0.6831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0073   -1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -1.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -2.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -1.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -2.2836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -2.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  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  0  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  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 27 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0249739

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC(=O)C1=C2C=C3C=C(C=CC)N(C=C3C(=O)C2(C)OC1=O)C(CCC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H29NO8/c1-4-6-7-9-20(28)22-18-13-15-12-16(8-5-2)27(19(24(32)33)10-11-21(29)30)14-17(15)23(31)26(18,3)35-25(22)34/h5,8,12-14,19H,4,6-7,9-11H2,1-3H3,(H,29,30)(H,32,33)

> <INCHI_KEY>
XBUWNEMZEWOHAM-UHFFFAOYSA-N

> <FORMULA>
C26H29NO8

> <MOLECULAR_WEIGHT>
483.517

> <EXACT_MASS>
483.189316898

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
51.747876245160285

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)-2H,7H,9H,9aH-furo[3,2-g]isoquinolin-7-yl]pentanedioic acid

> <JCHEM_LOGP>
3.4064697233333323

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.33800738196167

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6307325438072726

> <JCHEM_PKA_STRONGEST_BASIC>
-4.27793657536998

> <JCHEM_POLAR_SURFACE_AREA>
138.28

> <JCHEM_REFRACTIVITY>
129.62179999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid

> <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       6.668  -4.263   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.208  -4.263   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.978  -2.929   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.518  -2.929   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.288  -1.595   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.828  -1.595   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.598  -0.262   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      15.138  -0.262   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      16.169   0.883   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      15.849   2.389   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      14.384   2.865   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      16.993   3.420   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.673   4.926   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      17.817   5.956   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.497   7.463   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      18.642   8.493   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      17.576   0.256   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      18.909   1.026   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      17.415  -1.275   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      15.908  -1.595   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.814  -2.841   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.138  -2.929   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      15.908  -4.263   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      13.598  -2.929   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.828  -4.263   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      11.288  -4.263   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      10.518  -5.596   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.978  -5.596   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.208  -6.930   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       5.898  -8.264   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       5.898  -5.596   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      11.288  -6.930   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      12.828  -6.930   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      10.518  -8.264   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   33                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   27   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

View in JSmol

Synonyms

Value	Source
2-[3-Hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)-2H,7H,9H,9ah-furo[3,2-g]isoquinolin-7-yl]pentanedioate	Generator

Chemical Formula

C₂₆H₂₉NO₈

Average Mass

483.5170 Da

Monoisotopic Mass

483.18932 Da

IUPAC Name

2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)-2H,7H,9H,9aH-furo[3,2-g]isoquinolin-7-yl]pentanedioic acid

Traditional Name

2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid

CAS Registry Number

Not Available

SMILES

CCCCCC(=O)C1=C2C=C3C=C(C=CC)N(C=C3C(=O)C2(C)OC1=O)C(CCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C26H29NO8/c1-4-6-7-9-20(28)22-18-13-15-12-16(8-5-2)27(19(24(32)33)10-11-21(29)30)14-17(15)23(31)26(18,3)35-25(22)34/h5,8,12-14,19H,4,6-7,9-11H2,1-3H3,(H,29,30)(H,32,33)

InChI Key

XBUWNEMZEWOHAM-UHFFFAOYSA-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 alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Substituents

Alpha-amino acid or derivatives
Tricarboxylic acid or derivatives
Aryl ketone
Aryl alkyl ketone
Alpha-acyloxy ketone
2-furanone
Pyridine
Dihydrofuran
Heteroaromatic compound
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Vinylogous amide
Carboxylic acid ester
Ketone
Lactone
Carboxylic acid
Oxacycle
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Organopnictogen compound
Carbonyl group
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	3.41	ChemAxon
pKa (Strongest Acidic)	3.63	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	138.28 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	129.62 m³·mol⁻¹	ChemAxon
Polarizability	51.75 Å³	ChemAxon
Number of Rings	3	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

163065340

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid (NP0249739)

MOL for NP0249739 (2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid)

3D MOL for NP0249739 (2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid)

3D SDF for NP0249739 (2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid)

3D-SDF for NP0249739 (2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid)

PDB for NP0249739 (2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid)

3D PDB for NP0249739 (2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid)

SMILES for NP0249739 (2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid)

INCHI for NP0249739 (2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid)

Structure for NP0249739 (2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid)

3D Structure for NP0249739 (2-[3-hexanoyl-9a-methyl-2,9-dioxo-6-(prop-1-en-1-yl)furo[3,2-g]isoquinolin-7-yl]pentanedioic acid)