NP-MRD: Showing NP-Card for 4-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3h-1-oxa-5-azatetraphen-10-one (NP0305247)

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Record Information

Version

2.0

Created at

2022-09-10 20:54:37 UTC

Updated at

2022-09-10 20:54:37 UTC

NP-MRD ID

NP0305247

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3h-1-oxa-5-azatetraphen-10-one

Description

Oriciacridone F belongs to the class of organic compounds known as prenylated neoflavonoids. These are neoflavonoids that features a C5-isoprenoid substituent at any position of the A, B, or C ring. Neoflavonoids are compounds with a structure based on the 4-phenylchromene backbone. Oriciacridone F is an extremely weak basic (essentially neutral) compound (based on its pKa). An alkaloid of the class of acridone derivatives isolated from Oriciopsis glaberrima and has been shown to exhibit radical scavenging and alpha-glucosidase inhibitory activity.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241514042D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004241514042D          

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    6.9707    2.8820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5414    1.9716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1912    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6511    3.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9303    3.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1307    2.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9211    3.8425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7313    3.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8114    4.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    5.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3515    4.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1617    4.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4317    5.2457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7017    3.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5119    3.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0520    3.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7819    2.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9718    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2115    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4317    3.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6216    2.9071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    3.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2713    3.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2713    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4612    1.0361    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  1  0  0  0  0
  4  5  1  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  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 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
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 35 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 32 43  1  0  0  0  0
 43 44  2  0  0  0  0
 22 44  1  0  0  0  0
 28 44  1  0  0  0  0
 21 45  2  0  0  0  0
  6 45  1  0  0  0  0
 45 46  1  0  0  0  0
  2 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0305247

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)CCC2=C3NC4=C(O)C=CC=C4C(=O)C3=C(O)C(C3CC(C)(C)OC4=CC(O)=C5C(=O)C6=CC=CC(O)=C6NC5=C34)=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C36H32N2O8/c1-35(2)12-11-17-29-26(32(43)16-8-6-9-19(39)27(16)37-29)33(44)24(34(17)46-35)18-14-36(3,4)45-22-13-21(41)25-30(23(18)22)38-28-15(31(25)42)7-5-10-20(28)40/h5-10,13,18,39-41,44H,11-12,14H2,1-4H3,(H,37,43)(H,38,42)

> <INCHI_KEY>
YPOUKZJOAMKOEN-UHFFFAOYSA-N

> <FORMULA>
C36H32N2O8

> <MOLECULAR_WEIGHT>
620.658

> <EXACT_MASS>
620.215865998

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
65.67916629879593

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
12-(6,11-dihydroxy-2,2-dimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-6,11-dihydroxy-2,2-dimethyl-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-10-one

> <ALOGPS_LOGP>
6.14

> <JCHEM_LOGP>
9.979748788999999

> <ALOGPS_LOGS>
-4.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.834094181559166

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.308109152237122

> <JCHEM_PKA_STRONGEST_BASIC>
-2.838647176149867

> <JCHEM_POLAR_SURFACE_AREA>
157.57999999999998

> <JCHEM_REFRACTIVITY>
171.49419999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.57e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
12-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3H-1-oxa-5-azatetraphen-4-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3H-1-oxa-5-azatetraphen-10-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0       6.852  -0.716   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.824   0.479   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.478   1.228   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.832  -0.685   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.344  -0.394   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.848   1.061   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.360   1.352   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      13.368   0.188   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      14.881   0.479   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      15.889  -0.685   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      15.385  -2.140   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      17.401  -0.394   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      17.905   1.061   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.897   2.225   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.385   1.934   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      14.377   3.098   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      14.927   5.205   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      12.864   2.807   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.856   3.971   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      13.012   5.380   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      10.344   3.680   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.336   4.844   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.824   4.553   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.815   5.718   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.470   6.467   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.844   4.523   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       7.319   7.173   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       8.832   7.464   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.336   8.919   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.848   9.210   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      11.352  10.665   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      11.856   8.046   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.368   8.337   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      13.873   9.792   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      14.377   7.173   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      15.889   7.464   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      16.897   6.300   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      16.393   4.844   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      14.881   4.553   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      15.328   3.080   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      13.873   5.718   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0      12.360   5.427   0.000  0.00  0.00           N+0
HETATM   43  C   UNK     0      11.352   6.591   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       9.840   6.300   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       9.840   2.225   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       8.328   1.934   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4   46                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   45                                                  
CONECT    7    6    8   18                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   15                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14    9   16                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16    7   19                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   45                                                  
CONECT   22   21   23   44                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26   27                                             
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   24   28                                                       
CONECT   28   27   29   44                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   43                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   41                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   35   42                                                  
CONECT   42   41   43                                                       
CONECT   43   42   32   44                                                  
CONECT   44   43   22   28                                                  
CONECT   45   21    6   46                                                  
CONECT   46   45    2                                                       
MASTER        0    0    0    0    0    0    0    0   46    0  106    0
END

View in JSmol

Synonyms

Value	Source
(+)-Bis-5-hydroxy-(10H)-hydronoracromycine	ChEBI
5-(6,11-Dihydroxy-3,3-dimethyl-7-oxo-2,12-dihydro-1H-pyrano[2,3-c]acridin-1-yl)-6,11-dihydroxy-3,3-dimethyl-2,12-dihydro-1H-pyrano[2,3-c]acridin-7-one	ChEBI

Chemical Formula

C₃₆H₃₂N₂O₈

Average Mass

620.6580 Da

Monoisotopic Mass

620.21587 Da

IUPAC Name

12-(6,11-dihydroxy-2,2-dimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-6,11-dihydroxy-2,2-dimethyl-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-10-one

Traditional Name

12-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3H-1-oxa-5-azatetraphen-4-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3H-1-oxa-5-azatetraphen-10-one

CAS Registry Number

Not Available

SMILES

CC1(C)CCC2=C3NC4=C(O)C=CC=C4C(=O)C3=C(O)C(C3CC(C)(C)OC4=CC(O)=C5C(=O)C6=CC=CC(O)=C6NC5=C34)=C2O1

InChI Identifier

InChI=1S/C36H32N2O8/c1-35(2)12-11-17-29-26(32(43)16-8-6-9-19(39)27(16)37-29)33(44)24(34(17)46-35)18-14-36(3,4)45-22-13-21(41)25-30(23(18)22)38-28-15(31(25)42)7-5-10-20(28)40/h5-10,13,18,39-41,44H,11-12,14H2,1-4H3,(H,37,43)(H,38,42)

InChI Key

YPOUKZJOAMKOEN-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as prenylated neoflavonoids. These are neoflavonoids that features a C5-isoprenoid substituent at any position of the A, B, or C ring. Neoflavonoids are compounds with a structure based on the 4-phenylchromene backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Neoflavonoids

Sub Class

Prenylated neoflavonoids

Direct Parent

Prenylated neoflavonoids

Alternative Parents

Substituents

Prenylated neoflavonoid
Acridone
Acridine
Chromenopyridine
Benzoquinoline
2,2-dimethyl-1-benzopyran
Dihydroquinolone
8-hydroxyquinoline
Chromane
Dihydroquinoline
1-benzopyran
Quinoline
Benzopyran
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Pyridine
Benzenoid
Vinylogous amide
Vinylogous acid
Heteroaromatic compound
Oxacycle
Azacycle
Ether
Organoheterocyclic compound
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

organic heterotetracyclic compound (CHEBI:66836 )
alkaloid (CHEBI:66836 )
polyphenol (CHEBI:66836 )
ring assembly (CHEBI:66836 )
cyclic ether (CHEBI:66836 )
acridone derivatives (CHEBI:66836 )

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	6.14	ALOGPS
logP	9.98	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	8.31	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	157.58 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	171.49 m³·mol⁻¹	ChemAxon
Polarizability	65.68 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

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

Not Available

PDB ID

Not Available

ChEBI ID

66836

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3h-1-oxa-5-azatetraphen-10-one (NP0305247)

MOL for NP0305247 (4-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3h-1-oxa-5-azatetraphen-10-one)

3D MOL for NP0305247 (4-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3h-1-oxa-5-azatetraphen-10-one)

3D SDF for NP0305247 (4-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3h-1-oxa-5-azatetraphen-10-one)

3D-SDF for NP0305247 (4-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3h-1-oxa-5-azatetraphen-10-one)

PDB for NP0305247 (4-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3h-1-oxa-5-azatetraphen-10-one)

3D PDB for NP0305247 (4-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3h-1-oxa-5-azatetraphen-10-one)

SMILES for NP0305247 (4-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3h-1-oxa-5-azatetraphen-10-one)

INCHI for NP0305247 (4-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3h-1-oxa-5-azatetraphen-10-one)

Structure for NP0305247 (4-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3h-1-oxa-5-azatetraphen-10-one)

3D Structure for NP0305247 (4-(6,11-dihydroxy-2,2-dimethyl-10-oxo-4,5-dihydro-3h-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,2-dimethyl-4,5-dihydro-3h-1-oxa-5-azatetraphen-10-one)