NP-MRD: Showing NP-Card for 2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),6,10,15-tetraene-5,8-dione (NP0283952)

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Record Information

Version

2.0

Created at

2022-09-09 11:26:35 UTC

Updated at

2022-09-09 11:26:35 UTC

NP-MRD ID

NP0283952

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),6,10,15-tetraene-5,8-dione

Description

2-Hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadeca-1(10),6,11(15),16-tetraene-5,8-dione belongs to the class of organic compounds known as hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group. Based on a literature review very few articles have been published on 2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadeca-1(10),6,11(15),16-tetraene-5,8-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 38 41  0  0  0  0  0  0  0  0999 V2000
   -2.8972   -2.2019   -0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6460   -1.5005   -0.2492 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3914   -2.1659   -0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4249   -3.4392   -0.4321 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8452   -1.4422   -0.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9932   -2.0952   -0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1930   -1.2327   -0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2460   -1.6424   -0.5768 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0464    0.0641    0.6070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5569   -0.0586    2.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8699    1.0820   -0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7580    0.5532    0.6758 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9096    0.0029   -0.2812 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3858    0.3393   -1.5780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4255    0.6143   -0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4865    2.0040    0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907    2.6152    0.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8796    1.8992    0.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8616    0.5399    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6044   -0.0768   -0.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1768    0.0526   -0.0015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0040    1.1877   -0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2249    2.2428    0.3149 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6753   -3.2847   -0.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5027   -2.1019    0.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4531   -1.8847   -1.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0506   -3.1674   -0.0938 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7316    0.9643    2.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792   -0.6797    2.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7355   -0.4937    2.6383 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2896    2.0008   -0.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7604    1.3838    0.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1906    0.6768   -1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6217    0.5210   -2.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4574    2.5278    0.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7513    3.6963    0.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0319    1.4015   -1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9928    1.0981    0.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 23  1  0
 23 22  1  0
 22 21  1  0
 21 19  1  0
 19 20  2  0
 20  2  1  0
 13  5  1  0
 20 15  1  0
 19 18  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  6 27  1  0
 10 28  1  0
 10 29  1  0
 10 30  1  0
 11 31  1  0
 11 32  1  0
 11 33  1  0
 14 34  1  0
 16 35  1  0
 17 36  1  0
 22 37  1  0
 22 38  1  0
M  END


  Mrv1652309092213262D          

 23 26  0  0  0  0            999 V2000
    3.1220   -3.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902   -3.1787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7781   -3.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4978   -4.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2463   -2.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4342   -2.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976   -2.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098   -2.3529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827   -1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6302   -1.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1807   -0.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -1.2866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266   -1.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8069   -1.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -1.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190   -0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311   -0.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -1.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826   -2.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705   -2.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3340   -2.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168   -2.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -1.5084    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
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
  2 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
 18 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0283952

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1C(=O)C2=CC(=O)C(C)(C)OC2(O)C2=CC=C3OCOC3=C12

> <INCHI_IDENTIFIER>
InChI=1S/C16H15NO6/c1-15(2)11(18)6-9-14(19)17(3)12-8(16(9,20)23-15)4-5-10-13(12)22-7-21-10/h4-6,20H,7H2,1-3H3

> <INCHI_KEY>
QKCLNULBUXINJN-UHFFFAOYSA-N

> <FORMULA>
C16H15NO6

> <MOLECULAR_WEIGHT>
317.297

> <EXACT_MASS>
317.089937207

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
30.749025851427906

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),6,10,15-tetraene-5,8-dione

> <JCHEM_LOGP>
1.2923879423333338

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.290713981260161

> <JCHEM_PKA_STRONGEST_BASIC>
-1.5708416559485543

> <JCHEM_POLAR_SURFACE_AREA>
85.30000000000001

> <JCHEM_REFRACTIVITY>
78.54140000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),6,10,15-tetraene-5,8-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       5.828  -7.111   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       4.835  -5.934   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       3.319  -6.205   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.796  -7.653   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.326  -5.027   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.810  -5.298   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.182  -4.121   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.698  -4.392   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.341  -2.673   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.176  -2.409   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.337  -1.133   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.857  -2.402   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.850  -3.579   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.373  -2.131   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.366  -3.308   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.889  -1.859   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.405  -1.588   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.398  -2.766   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.874  -4.214   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.358  -4.485   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       8.090  -5.159   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.365  -4.295   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       8.937  -2.816   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   13                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11   12                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9   13                                                       
CONECT   13   12    5   14   15                                             
CONECT   14   13                                                            
CONECT   15   13   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19   15    2                                                  
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   18                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₁₅NO₆

Average Mass

317.2970 Da

Monoisotopic Mass

317.08994 Da

IUPAC Name

2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),6,10,15-tetraene-5,8-dione

Traditional Name

2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),6,10,15-tetraene-5,8-dione

CAS Registry Number

Not Available

SMILES

CN1C(=O)C2=CC(=O)C(C)(C)OC2(O)C2=CC=C3OCOC3=C12

InChI Identifier

InChI=1S/C16H15NO6/c1-15(2)11(18)6-9-14(19)17(3)12-8(16(9,20)23-15)4-5-10-13(12)22-7-21-10/h4-6,20H,7H2,1-3H3

InChI Key

QKCLNULBUXINJN-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 hydroquinolones. Hydroquinolones are compounds containing a hydrogenated quinoline bearing a ketone group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Quinolines and derivatives

Sub Class

Quinolones and derivatives

Direct Parent

Hydroquinolones

Alternative Parents

Substituents

Tetrahydroquinolone
Tetrahydroquinoline
Benzodioxole
Dihydropyranone
Benzenoid
Pyran
Tertiary carboxylic acid amide
Carboxamide group
Hemiacetal
Ketone
Cyclic ketone
Lactam
Acetal
Carboxylic acid derivative
Oxacycle
Azacycle
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Organooxygen compound
Organonitrogen 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	1.29	ChemAxon
pKa (Strongest Acidic)	10.29	ChemAxon
pKa (Strongest Basic)	-1.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	85.3 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	78.54 m³·mol⁻¹	ChemAxon
Polarizability	30.75 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

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Wikipedia Link

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METLIN ID

Not Available

PubChem Compound

163105666

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for 2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),6,10,15-tetraene-5,8-dione (NP0283952)

MOL for NP0283952 (2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),6,10,15-tetraene-5,8-dione)

3D MOL for NP0283952 (2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),6,10,15-tetraene-5,8-dione)

3D SDF for NP0283952 (2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),6,10,15-tetraene-5,8-dione)

3D-SDF for NP0283952 (2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),6,10,15-tetraene-5,8-dione)

PDB for NP0283952 (2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),6,10,15-tetraene-5,8-dione)

3D PDB for NP0283952 (2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),6,10,15-tetraene-5,8-dione)

SMILES for NP0283952 (2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),6,10,15-tetraene-5,8-dione)

INCHI for NP0283952 (2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),6,10,15-tetraene-5,8-dione)

Structure for NP0283952 (2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),6,10,15-tetraene-5,8-dione)

3D Structure for NP0283952 (2-hydroxy-4,4,9-trimethyl-3,12,14-trioxa-9-azatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),6,10,15-tetraene-5,8-dione)