NP-MRD: Showing NP-Card for 10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one (NP0328527)

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Record Information

Version

1.0

Created at

2022-09-12 12:04:53 UTC

Updated at

2022-09-12 12:04:54 UTC

NP-MRD ID

NP0328527

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one

Description

(R)-Pronuciferine, also known as milthanthine or N-methylstepharine, belongs to the class of organic compounds known as proaporphines. These are benzylisoquinoline derivatives characterized by the presence of a spirocyclohexane ring that can occur in various oxidation levels, from cyclohexadienone to cyclohexanol (R)-Pronuciferine is a very strong basic compound (based on its pKa). Outside of the human body, (R)-pronuciferine has been detected, but not quantified in, several different foods, such as cherimoya, coffee and coffee products, poppies, and sacred lotus. 10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one is found in Annona cherimola, Berberis montana, Berberis sibirica, Cissampelos capensis, Croton bonplandianus, Hypserpa nitida and Nelumbo nucifera. This could make (R)-pronuciferine a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
    3.6533   -3.1777    0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3263   -1.8115    0.4202 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0193   -1.4479    0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0075   -2.4056    0.0857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2600   -1.9617   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5175   -0.6311   -0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4426    0.3547   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7323   -0.0914    0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146    0.8772    0.2963 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0040    1.3524    1.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2421    1.6520   -0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3153    2.7108    0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7527    3.8701    0.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6965    4.1508   -1.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042    5.2452   -1.6523 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1621    3.1584   -2.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2618    2.0220   -1.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799    1.3145    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8444   -0.0579   -0.3683 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8461   -0.8570    0.2156 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0688   -0.7845   -0.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5597   -2.2079    0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4514   -2.8566   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9983   -3.6682    1.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7258   -3.2532    0.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5141   -3.6924   -0.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064   -3.4466    0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9488    0.8818    1.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1432    2.4542    1.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2215    1.1102    2.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3715    2.5409    1.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1648    4.6465    0.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1228    3.3759   -3.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6571    1.2980   -2.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.0394   -0.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7129    1.3075    1.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0886    0.1105   -1.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0950    0.2017   -1.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9662   -0.9260    0.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0117   -1.5615   -1.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4758   -2.8455    0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2652   -2.2779    1.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2745   -3.8485    0.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6736   -2.8644   -1.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  8  2  0
  8  9  1  0
  9 10  1  0
  8  7  1  0
  7  6  2  0
  6 19  1  0
 19 18  1  0
 18 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23  5  1  0
  5  4  2  0
  4  3  1  0
 11  7  1  0
 17 11  1  0
  5  6  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 10 28  1  0
 10 29  1  0
 10 30  1  0
 19 37  1  6
 18 35  1  0
 18 36  1  0
 12 31  1  0
 13 32  1  0
 16 33  1  0
 17 34  1  0
 21 38  1  0
 21 39  1  0
 21 40  1  0
 22 41  1  0
 22 42  1  0
 23 43  1  0
 23 44  1  0
  4 27  1  0
M  END


  Mrv0541 05061305102D          

 23 26  0  0  0  0            999 V2000
   -1.5558    0.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7295   -2.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7295    1.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0270    2.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2489    1.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5993    1.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212    1.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018   -1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1714    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8518    2.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5839   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3018    0.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0143   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8411   -0.1554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2795    3.2307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290   -1.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7290    0.2567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
  9  6  1  0  0  0  0
 12  6  1  0  0  0  0
 12 10  2  0  0  0  0
 13  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19  7  1  0  0  0  0
 19  8  1  0  0  0  0
 19 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20  1  1  0  0  0  0
 20  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21 13  2  0  0  0  0
 22  2  1  0  0  0  0
 22 15  1  0  0  0  0
 23  3  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0328527

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(C)CCC3=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H21NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4-5,7-8,10,14H,6,9,11H2,1-3H3

> <INCHI_KEY>
WUYQEGNOQLRQAQ-UHFFFAOYSA-N

> <FORMULA>
C19H21NO3

> <MOLECULAR_WEIGHT>
311.3749

> <EXACT_MASS>
311.152143543

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
33.46167855674318

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),2,5,8',10'-pentaen-4-one

> <ALOGPS_LOGP>
2.51

> <JCHEM_LOGP>
2.4568883619999995

> <ALOGPS_LOGS>
-3.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.77572119183691

> <JCHEM_POLAR_SURFACE_AREA>
38.77

> <JCHEM_REFRACTIVITY>
92.27

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.11e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),2,5,8',10'-pentaen-4-one

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -2.904   0.479   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.095  -4.139   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.095   2.019   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.917   4.747   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.198   3.364   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.240  -2.600   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.119   3.430   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.400   2.047   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.570  -1.830   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.430  -2.600   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.320   2.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.090  -1.830   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.457   4.714   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.240   0.480   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.760  -1.830   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.090  -0.290   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.430   0.480   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.760  -0.290   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.860   2.080   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      -1.570  -0.290   0.000  0.00  0.00           N+0
HETATM   21  O   UNK     0       4.255   6.031   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       5.094  -2.599   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       5.094   0.479   0.000  0.00  0.00           O+0
CONECT    1   20                                                            
CONECT    2   22                                                            
CONECT    3   23                                                            
CONECT    4    7   13                                                       
CONECT    5    8   13                                                       
CONECT    6    9   12                                                       
CONECT    7    4   19                                                       
CONECT    8    5   19                                                       
CONECT    9    6   20                                                       
CONECT   10   12   15                                                       
CONECT   11   14   19                                                       
CONECT   12    6   10   16                                                  
CONECT   13    4    5   21                                                  
CONECT   14   11   16   20                                                  
CONECT   15   10   18   22                                                  
CONECT   16   12   14   17                                                  
CONECT   17   16   18   19                                                  
CONECT   18   15   17   23                                                  
CONECT   19    7    8   11   17                                             
CONECT   20    1    9   14                                                  
CONECT   21   13                                                            
CONECT   22    2   15                                                       
CONECT   23    3   18                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Value	Source
(+)-Pronuciferine	HMDB
Milthanthine	HMDB
N,O-Dimethylcrotonosine	HMDB
N-Methylstepharine	HMDB
Pronuciferin	HMDB
Pronuciferine	HMDB

Chemical Formula

C₁₉H₂₁NO₃

Average Mass

311.3749 Da

Monoisotopic Mass

311.15214 Da

IUPAC Name

10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),2,5,8',10'-pentaen-4-one

Traditional Name

10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),2,5,8',10'-pentaen-4-one

CAS Registry Number

Not Available

SMILES

COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(C)CCC3=C1

InChI Identifier

InChI=1S/C19H21NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4-5,7-8,10,14H,6,9,11H2,1-3H3

InChI Key

WUYQEGNOQLRQAQ-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
Annona cherimola	LOTUS Database	35616633
Berberis montana	LOTUS Database	35616633
Berberis sibirica	LOTUS Database	35616633
Cissampelos capensis	LOTUS Database	35616633
Croton bonplandianus	LOTUS Database	35616633
Hypserpa nitida	LOTUS Database	35616633
Nelumbo nucifera	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as proaporphines. These are benzylisoquinoline derivatives characterized by the presence of a spirocyclohexane ring that can occur in various oxidation levels, from cyclohexadienone to cyclohexanol.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Proaporphines

Sub Class

Not Available

Direct Parent

Proaporphines

Alternative Parents

Not Available

Substituents

Not Available

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	2.51	ALOGPS
logP	2.46	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Basic)	7.78	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	38.77 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	92.27 m³·mol⁻¹	ChemAxon
Polarizability	33.46 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0030344

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

628376

PDB ID

Not Available

ChEBI ID

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one (NP0328527)

MOL for NP0328527 (10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one)

3D MOL for NP0328527 (10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one)

3D SDF for NP0328527 (10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one)

3D-SDF for NP0328527 (10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one)

PDB for NP0328527 (10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one)

3D PDB for NP0328527 (10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one)

SMILES for NP0328527 (10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one)

INCHI for NP0328527 (10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one)

Structure for NP0328527 (10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one)

3D Structure for NP0328527 (10',11'-dimethoxy-5'-methyl-5'-azaspiro[cyclohexane-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(11'),2,5,8'(12'),9'-pentaen-4-one)