NP-MRD: Showing NP-Card for methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate (NP0224800)

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Record Information

Version

2.0

Created at

2022-09-06 03:19:34 UTC

Updated at

2022-09-06 03:19:34 UTC

NP-MRD ID

NP0224800

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate

Description

Methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-2-yl}propanoate belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate is found in Thamnosma rhodesica. Methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-2-yl}propanoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 04121514072D          

 28 31  0  0  0  0            999 V2000
    0.2931   -3.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9024   -3.3985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6887   -3.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8658   -4.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980   -3.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8543   -3.7012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7418   -2.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9914   -1.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9073   -2.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7155   -2.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1231   -1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5668   -1.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8155   -1.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8164   -0.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717    0.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1784   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9842   -0.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2337   -0.0576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5404   -1.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3462   -1.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9024   -1.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6528   -2.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8471   -2.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2908   -2.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4851   -2.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2355   -3.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9288   -1.8073    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  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  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 11 28  1  0  0  0  0
 17 28  2  0  0  0  0
M  END


  Mrv0541 04121514072D          

 28 31  0  0  0  0            999 V2000
    0.2931   -3.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9024   -3.3985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6887   -3.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8658   -4.4539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980   -3.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8543   -3.7012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7418   -2.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9914   -1.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9073   -2.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7155   -2.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1231   -1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5668   -1.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8155   -1.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8164   -0.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222   -0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717    0.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1784   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9842   -0.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2337   -0.0576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5404   -1.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3462   -1.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9024   -1.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6528   -2.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8471   -2.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2908   -2.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4851   -2.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2355   -3.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9288   -1.8073    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  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  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  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 11 28  1  0  0  0  0
 17 28  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0224800

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C(O)(CO)C1CC2=C(O1)C=C(O)C1=C2N(C)C2=CC=CC=C2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H19NO7/c1-21-12-6-4-3-5-10(12)18(24)16-13(23)8-14-11(17(16)21)7-15(28-14)20(26,9-22)19(25)27-2/h3-6,8,15,22-23,26H,7,9H2,1-2H3

> <INCHI_KEY>
AKJQUGNUJATZNP-UHFFFAOYSA-N

> <FORMULA>
C20H19NO7

> <MOLECULAR_WEIGHT>
385.372

> <EXACT_MASS>
385.116151956

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
38.89006085715637

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-2-yl}propanoate

> <ALOGPS_LOGP>
1.59

> <JCHEM_LOGP>
1.9429614266666668

> <ALOGPS_LOGS>
-2.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.715028552130942

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.79269362241552

> <JCHEM_PKA_STRONGEST_BASIC>
-3.213927798958794

> <JCHEM_POLAR_SURFACE_AREA>
116.53000000000002

> <JCHEM_REFRACTIVITY>
98.53059999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.88e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1H,2H-furo[2,3-c]acridin-2-yl}propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-APR-15         0                                  
HETATM    1  C   UNK     0       0.547  -7.382   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.684  -6.344   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.152  -6.810   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.483  -8.314   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.290  -5.771   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.328  -6.909   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       3.251  -4.634   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       3.717  -3.166   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.427  -4.733   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.936  -5.043   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.696  -3.704   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.658  -2.567   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       5.256  -3.203   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       7.124  -1.099   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.628  -0.768   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.094   0.699   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       9.666  -1.906   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.170  -1.575   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      11.636  -0.107   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      12.209  -2.713   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.713  -2.382   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.751  -3.520   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.285  -4.987   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.781  -5.318   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.743  -4.180   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      10.239  -4.511   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       9.773  -5.979   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.201  -3.374   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7    9                                             
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7                                                            
CONECT    9    5   10   13                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   28                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12    9                                                       
CONECT   14   12   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   28                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   25                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   20   26                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   11   17                                                  
MASTER        0    0    0    0    0    0    0    0   28    0   62    0
END

View in JSmol

Synonyms

Value	Source
Methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-2-yl}propanoic acid	Generator

Chemical Formula

C₂₀H₁₉NO₇

Average Mass

385.3720 Da

Monoisotopic Mass

385.11615 Da

IUPAC Name

methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-2-yl}propanoate

Traditional Name

methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1H,2H-furo[2,3-c]acridin-2-yl}propanoate

CAS Registry Number

Not Available

SMILES

COC(=O)C(O)(CO)C1CC2=C(O1)C=C(O)C1=C2N(C)C2=CC=CC=C2C1=O

InChI Identifier

InChI=1S/C20H19NO7/c1-21-12-6-4-3-5-10(12)18(24)16-13(23)8-14-11(17(16)21)7-15(28-14)20(26,9-22)19(25)27-2/h3-6,8,15,22-23,26H,7,9H2,1-2H3

InChI Key

AKJQUGNUJATZNP-UHFFFAOYSA-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
Thamnosma rhodesica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Benzoquinolines

Direct Parent

Acridones

Alternative Parents

Substituents

Acridone
Dihydroquinolone
Dihydroquinoline
Coumaran
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Beta-hydroxy acid
Phenol
Hydroxy acid
Benzenoid
Pyridine
Heteroaromatic compound
Vinylogous amide
Vinylogous acid
Methyl ester
Tertiary alcohol
1,2-diol
Carboxylic acid ester
Monocarboxylic acid or derivatives
Azacycle
Oxacycle
Ether
Carboxylic acid derivative
Organonitrogen compound
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Organic oxide
Organic oxygen compound
Alcohol
Organooxygen compound
Primary 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	1.59	ALOGPS
logP	1.94	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	8.79	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	116.53 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	98.53 m³·mol⁻¹	ChemAxon
Polarizability	38.89 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

10430166

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate (NP0224800)

MOL for NP0224800 (methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate)

3D MOL for NP0224800 (methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate)

3D SDF for NP0224800 (methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate)

3D-SDF for NP0224800 (methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate)

PDB for NP0224800 (methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate)

3D PDB for NP0224800 (methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate)

SMILES for NP0224800 (methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate)

INCHI for NP0224800 (methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate)

Structure for NP0224800 (methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate)

3D Structure for NP0224800 (methyl 2,3-dihydroxy-2-{5-hydroxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-2-yl}propanoate)