NP-MRD: Showing NP-Card for Isothebaine (NP0050991)

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Record Information

Version

2.0

Created at

2022-04-27 22:26:59 UTC

Updated at

2022-04-27 22:27:00 UTC

NP-MRD ID

NP0050991

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Isothebaine

Description

Isothebaine belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Isothebaine is found in Papaver atlanticum, Papaver bracteatum , Papaver macrantha, Papaver nudicaule, Papaver orientale , Papaver pseudo-orientale and Papaver pseudorientale. Isothebaine was first documented in 1991 (PMID: 24221321). Based on a literature review a small amount of articles have been published on isothebaine (PMID: 9500122) (PMID: 17226487).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.9247    4.6527   -0.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1812    3.2783   -0.2710 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1762    2.3596   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1053    2.7647    0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0854    1.8143    0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8030    0.4706    0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5222    0.0701    0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113    0.9959   -0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8136    0.7234   -0.3337 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095   -1.3519   -0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862   -2.2163   -0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553   -3.5826   -0.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121   -4.0936   -0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2744   -3.2256   -0.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0838   -1.8286   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2096   -1.0696   -0.1819 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5229   -1.6426   -0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7037   -1.7701   -0.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8535   -0.5292    0.5398 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1925   -0.0207    0.5851 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1850   -0.9964    0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3880    1.2129   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4775    2.2747    0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4151    4.9107    0.6969 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2901    4.9142   -1.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8968    5.2054   -0.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3040    3.8225    0.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    1.4379   -0.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9085   -4.2730   -0.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3869   -5.1699   -0.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2975   -3.5607   -0.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6643   -2.2013   -1.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168   -2.2729    0.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2449   -0.7888   -0.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9468   -1.6383   -1.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3341   -2.5946    0.1555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6342   -0.8176    1.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1050   -1.8743    0.8748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1846   -0.5290    0.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1665   -1.2400   -0.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4250    1.5465    0.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2194    1.1743   -1.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6762    3.2380   -0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6479    2.4209    1.5541 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
  4  5  1  0
  5  6  2  0
  6 19  1  0
 19 18  1  0
 18 11  1  0
 11 10  2  0
 10 15  1  0
 15 16  1  0
 16 17  1  0
 15 14  2  0
 14 13  1  0
 13 12  2  0
 10  7  1  0
  7  8  2  0
  8  9  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
  8  3  1  0
 23  5  1  0
  7  6  1  0
 12 11  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
 19 37  1  1
 18 35  1  0
 18 36  1  0
 17 32  1  0
 17 33  1  0
 17 34  1  0
 14 31  1  0
 13 30  1  0
 12 29  1  0
  9 28  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
M  END


  Mrv1652304282200272D          

 23 26  0  0  1  0            999 V2000
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 22  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0050991

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC2=C3[C@H](CC4=C(C(OC)=CC=C4)C3=C1O)N(C)CC2

> <INCHI_IDENTIFIER>
InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1

> <INCHI_KEY>
RQCOQZNIQLKGTN-ZDUSSCGKSA-N

> <FORMULA>
C19H21NO3

> <MOLECULAR_WEIGHT>
311.381

> <EXACT_MASS>
311.15214354

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
34.203957020749854

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(9S)-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-16-ol

> <ALOGPS_LOGP>
2.85

> <JCHEM_LOGP>
3.082504174666666

> <ALOGPS_LOGS>
-3.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.725646901132851

> <JCHEM_PKA_STRONGEST_BASIC>
6.938849499632197

> <JCHEM_POLAR_SURFACE_AREA>
41.93000000000001

> <JCHEM_REFRACTIVITY>
90.93360000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.43e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(9S)-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-16-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       1.334   2.310   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2    6   23                                                  
CONECT    2    1    3   15                                                  
CONECT    3    2    4   12                                                  
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    4   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   22                                                  
CONECT   12   11    3   13                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14    2   16                                                  
CONECT   16   15   17   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   14                                                       
CONECT   20   16   21                                                       
CONECT   21   20                                                            
CONECT   22   11                                                            
CONECT   23    1                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Value	Source
1-Hydroxy-2,11-dimethoxyaporphine	ChEBI
2,11-Dimethoxy-1-hydroxyaporphine	ChEBI

Chemical Formula

C₁₉H₂₁NO₃

Average Mass

311.3810 Da

Monoisotopic Mass

311.15214 Da

IUPAC Name

(9S)-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-16-ol

Traditional Name

(9S)-3,15-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaen-16-ol

CAS Registry Number

Not Available

SMILES

COC1=CC2=C3[C@H](CC4=C(C(OC)=CC=C4)C3=C1O)N(C)CC2

InChI Identifier

InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1

InChI Key

RQCOQZNIQLKGTN-ZDUSSCGKSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Papaver atlanticum	LOTUS Database	35616633
Papaver bracteatum	Plant	KNApSAcK
Papaver macrantha	Plant	KNApSAcK
Papaver nudicaule	LOTUS Database	35616633
Papaver orientale	Plant	KNApSAcK
Papaver pseudo-orientale	Plant	KNApSAcK
Papaver pseudorientale	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Aporphines

Sub Class

Not Available

Direct Parent

Aporphines

Alternative Parents

Substituents

Aporphine
Benzoquinoline
Phenanthrene
1-naphthol
Naphthalene
Quinoline
Tetrahydroisoquinoline
Anisole
Alkyl aryl ether
Aralkylamine
Benzenoid
Tertiary amine
Tertiary aliphatic amine
Organoheterocyclic compound
Azacycle
Ether
Amine
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

isoquinoline alkaloid (CHEBI:6066 )
isoquinolines (CHEBI:6066 )
Isoquinoline alkaloids (C09550 )

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	2.85	ALOGPS
logP	3.08	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	9.73	ChemAxon
pKa (Strongest Basic)	6.94	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	41.93 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	90.93 m³·mol⁻¹	ChemAxon
Polarizability	34.2 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

C00001873

Chemspider ID

10807

KEGG Compound ID

C09550

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11281

PDB ID

Not Available

ChEBI ID

6066

Good Scents ID

Not Available

References

General References

Sotnikova R, Kettmann V, Kostalova D, Taborska E: Relaxant properties of some aporphine alkaloids from Mahonia aquifolium. Methods Find Exp Clin Pharmacol. 1997 Nov;19(9):589-97. [PubMed:9500122 ]
Sanyar G, Gulgeze HB, Gozler B: Salutaridine N-Oxide from the Capsules of Papaver bracteatum. Planta Med. 1992 Aug;58(4):368-9. doi: 10.1055/s-2006-961487. [PubMed:17226487 ]
Levy A, Milo J: Inheritance of morphological and chemical characters in interspecific hybrids between Papaver bracteatum and Papaver pseudo-orientale. Theor Appl Genet. 1991 Apr;81(4):537-40. doi: 10.1007/BF00219446. [PubMed:24221321 ]

Showing NP-Card for Isothebaine (NP0050991)

MOL for NP0050991 (Isothebaine)

3D MOL for NP0050991 (Isothebaine)

3D SDF for NP0050991 (Isothebaine)

3D-SDF for NP0050991 (Isothebaine)

PDB for NP0050991 (Isothebaine)

3D PDB for NP0050991 (Isothebaine)

SMILES for NP0050991 (Isothebaine)

INCHI for NP0050991 (Isothebaine)

Structure for NP0050991 (Isothebaine)

3D Structure for NP0050991 (Isothebaine)