NP-MRD: Showing NP-Card for 12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one (NP0254329)

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Record Information

Version

2.0

Created at

2022-09-07 18:27:40 UTC

Updated at

2022-09-07 18:27:41 UTC

NP-MRD ID

NP0254329

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one

Description

Citbismine D 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. Citbismine D is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Citbismine D has been detected, but not quantified in, citrus. 12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one is found in Citrus aurantium. This could make citbismine D a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02241216362D          

 53 60  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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 49 85  1  0
 48 84  1  0
M  END


  Mrv0541 02241216362D          

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   -1.8406    1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1860    1.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8946    2.4077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4241    1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1327    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1327    3.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1327    2.4077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4241    1.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2832    2.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2832    3.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911    3.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4788    3.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6997    3.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0534    3.8946    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  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
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  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
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  7  8  1  0  0  0  0
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 10 20  1  0  0  0  0
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 42 43  1  0  0  0  0
 42 47  2  0  0  0  0
 43 44  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
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 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 52  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0254329

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=CC2=C1N(C)C1=C(C(O)=CC3=C1C(C(O3)C(C)(C)O)C1=C(O)C3=C(N(C)C4=C(C=CC(O)=C4OC)C3=O)C3=C1OC(C)(C)C=C3)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C40H38N2O11/c1-39(2)14-13-18-28-27(33(47)17-10-12-19(43)36(50-7)29(17)41(28)5)34(48)26(35(18)53-39)25-24-22(52-38(25)40(3,4)49)15-21(45)23-31(24)42(6)30-16(32(23)46)9-11-20(44)37(30)51-8/h9-15,25,38,43-45,48-49H,1-8H3

> <INCHI_KEY>
YDFOOKXFYDNPMQ-UHFFFAOYSA-N

> <FORMULA>
C40H38N2O11

> <MOLECULAR_WEIGHT>
722.7365

> <EXACT_MASS>
722.247560068

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
74.8940926784978

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one

> <ALOGPS_LOGP>
5.04

> <JCHEM_LOGP>
6.391494315333334

> <ALOGPS_LOGS>
-4.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.571033601595262

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.911829554021867

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1155127255612802

> <JCHEM_POLAR_SURFACE_AREA>
178.68999999999997

> <JCHEM_REFRACTIVITY>
196.46110000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.44e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1H,2H-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -3.304  -0.529   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.982  -1.321   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.982  -2.776   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.660  -3.569   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.660  -5.023   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.982  -5.816   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.304  -5.023   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.304  -3.569   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -4.626  -2.776   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       3.173  -7.270   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.660  -1.321   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       0.660  -2.776   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       1.850  -3.569   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.173  -2.776   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.569  -1.321   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.023  -1.189   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       5.551  -2.511   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.494  -3.569   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.494  -5.023   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.173  -5.816   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.850  -5.023   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.660  -5.816   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.660  -7.270   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       7.270   0.133   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.816   0.133   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.023   1.453   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.477   1.453   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -5.947   6.741   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -4.626   5.947   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -4.626   4.494   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -3.436   3.700   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -3.436   2.246   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -4.626   1.453   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.947   2.246   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -5.947   3.700   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -7.270   4.494   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       0.529   0.000   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       3.173   4.494   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       1.850   3.700   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.850   2.246   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       0.529   1.453   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -0.792   2.246   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -2.114   1.453   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -2.114   0.000   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      -2.114   5.947   0.000  0.00  0.00           C+0
HETATM   46  N   UNK     0      -2.114   4.494   0.000  0.00  0.00           N+0
HETATM   47  C   UNK     0      -0.792   3.700   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       0.529   4.494   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       0.529   5.947   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       1.850   6.741   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       4.627   5.947   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       3.173   5.947   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       3.833   7.270   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5   12                                                  
CONECT    5    4    6   22                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    3    7    9                                                  
CONECT    9    8                                                            
CONECT   10   20                                                            
CONECT   11   12                                                            
CONECT   12    4   11   13                                                  
CONECT   13   12   14   21                                                  
CONECT   14   13   15   18                                                  
CONECT   15   14   16   40                                                  
CONECT   16   15   17   25                                                  
CONECT   17   16   18                                                       
CONECT   18   14   17   19                                                  
CONECT   19   18   20                                                       
CONECT   20   10   19   21                                                  
CONECT   21   13   20   22                                                  
CONECT   22    5   21   23                                                  
CONECT   23   22                                                            
CONECT   24   25                                                            
CONECT   25   16   24   26   27                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   29                                                            
CONECT   29   28   30                                                       
CONECT   30   29   31   35                                                  
CONECT   31   30   32   46                                                  
CONECT   32   31   33   43                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   30   34   36                                                  
CONECT   36   35                                                            
CONECT   37   41                                                            
CONECT   38   39   52                                                       
CONECT   39   38   40   48                                                  
CONECT   40   15   39   41                                                  
CONECT   41   37   40   42                                                  
CONECT   42   41   43   47                                                  
CONECT   43   32   42   44                                                  
CONECT   44   43                                                            
CONECT   45   46                                                            
CONECT   46   31   45   47                                                  
CONECT   47   42   46   48                                                  
CONECT   48   39   47   49                                                  
CONECT   49   48   50                                                       
CONECT   50   49   52                                                       
CONECT   51   52                                                            
CONECT   52   38   50   51   53                                             
CONECT   53   52                                                            
MASTER        0    0    0    0    0    0    0    0   53    0  120    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₃₈N₂O₁₁

Average Mass

722.7365 Da

Monoisotopic Mass

722.24756 Da

IUPAC Name

12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1H,2H,6H,11H-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one

Traditional Name

12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1H,2H-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=CC2=C1N(C)C1=C(C(O)=CC3=C1C(C(O3)C(C)(C)O)C1=C(O)C3=C(N(C)C4=C(C=CC(O)=C4OC)C3=O)C3=C1OC(C)(C)C=C3)C2=O

InChI Identifier

InChI=1S/C40H38N2O11/c1-39(2)14-13-18-28-27(33(47)17-10-12-19(43)36(50-7)29(17)41(28)5)34(48)26(35(18)53-39)25-24-22(52-38(25)40(3,4)49)15-21(45)23-31(24)42(6)30-16(32(23)46)9-11-20(44)37(30)51-8/h9-15,25,38,43-45,48-49H,1-8H3

InChI Key

YDFOOKXFYDNPMQ-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
Citrus aurantium	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
Chromenopyridine
2,2-dimethyl-1-benzopyran
Dihydroquinolone
Benzopyran
Dihydroquinoline
1-benzopyran
Coumaran
Anisole
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Pyridine
Benzenoid
Heteroaromatic compound
Tertiary alcohol
Vinylogous amide
Vinylogous acid
Oxacycle
Ether
Azacycle
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Alcohol
Organic oxygen compound
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
logP	5.04	ALOGPS
logP	6.39	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	7.91	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	178.69 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	196.46 m³·mol⁻¹	ChemAxon
Polarizability	74.89 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0041437

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB021388

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

131753144

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one (NP0254329)

MOL for NP0254329 (12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one)

3D MOL for NP0254329 (12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one)

3D SDF for NP0254329 (12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one)

3D-SDF for NP0254329 (12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one)

PDB for NP0254329 (12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one)

3D PDB for NP0254329 (12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one)

SMILES for NP0254329 (12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one)

INCHI for NP0254329 (12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one)

Structure for NP0254329 (12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one)

3D Structure for NP0254329 (12-[5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1h,2h-furo[2,3-c]acridin-1-yl]-7,11-dihydroxy-6-methoxy-2,2,5-trimethyl-1-oxa-5-azatetraphen-10-one)