NP-MRD: Showing NP-Card for Neopine (NP0051008)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-04-27 22:27:39 UTC

Updated at

2022-04-27 22:27:39 UTC

NP-MRD ID

NP0051008

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Neopine

Description

Neopine belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. Neopine is found in Papaver bracteatum and Papaver somniferum . Neopine was first documented in 2005 (PMID: 15782326). Based on a literature review a small amount of articles have been published on Neopine (PMID: 30886433) (PMID: 29779229) (PMID: 25151135).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 47  0  0  0  0  0  0  0  0999 V2000
    5.2047   -0.8648    1.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0568   -0.0748    1.2762 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8396   -0.5375    0.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7392   -1.7918    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5073   -2.2359   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.4159   -0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5710   -0.2236    0.4313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7304    0.2831    0.9203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4705    1.5705    1.4460 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1971    1.9934    0.8860 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3489    2.9183   -0.2500 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4578    2.5225   -1.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8288    2.9803   -1.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4381    1.6423   -1.4218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3140    0.6365   -0.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9235   -0.6802   -0.8750 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9660   -1.8499   -0.6833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9748   -0.8129    0.1126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4793   -2.1250    0.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -0.0337    1.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4645    0.3023    1.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5356    0.7324    0.6296 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1123   -1.8126    1.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0513   -0.2863    1.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4695   -1.0957    0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6239   -2.4177    0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4299   -3.1961   -0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2951    2.5303    1.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5935    3.9341    0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2960    2.8847   -0.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6084    3.6072   -0.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5752    3.4690   -2.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    1.5660   -2.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3312   -0.7088   -1.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3523   -2.5788    0.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7905   -2.3633   -1.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2842   -2.8194   -0.5340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1565   -2.5545    1.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6012   -2.0510    0.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4261    0.9140    1.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3490   -0.5724    2.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9877   -0.5373    2.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305    1.1525    2.4548 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 17  1  0
 17 16  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 22 21  1  1
 22 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
  8  3  1  0
  7  6  1  0
 15 16  1  0
  7 22  1  0
 15 22  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  4 26  1  0
  5 27  1  0
 17 35  1  0
 17 36  1  0
 16 34  1  6
 19 37  1  0
 19 38  1  0
 19 39  1  0
 20 40  1  0
 20 41  1  0
 21 42  1  0
 21 43  1  0
 10 28  1  1
 11 29  1  1
 12 30  1  0
 13 31  1  0
 13 32  1  0
 14 33  1  0
M  END


  Mrv1652304282200272D          

 22 26  0  0  1  0            999 V2000
    4.0833    1.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157   -0.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1417   -0.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4518    0.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9321    1.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2494    1.9660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0675    2.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0183   -1.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1986   -1.0638    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6086   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6328   -0.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3224    0.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8811    1.2111    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7069    1.0511    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9240    0.2187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0776   -0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9343   -1.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6570   -1.6503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7949   -2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3715    1.5529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6257    1.9956    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
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 16  1  0  0  0  0
 16 11  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  6  0  0  0
  1 21  1  0  0  0  0
 14 22  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0051008

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C2C[C@H]3N(C)CC[C@@]45[C@@H](OC1=C24)[C@@H](O)CC=C35

> <INCHI_IDENTIFIER>
InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3/t12-,13+,17+,18+/m1/s1

> <INCHI_KEY>
NNDKZTBFZTWKLA-QISBLDNZSA-N

> <FORMULA>
C18H21NO3

> <MOLECULAR_WEIGHT>
299.37

> <EXACT_MASS>
299.15214354

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
32.203545494472934

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,5R,13R,14S)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,16-tetraen-14-ol

> <ALOGPS_LOGP>
1.52

> <JCHEM_LOGP>
1.2213397283333336

> <ALOGPS_LOGS>
-2.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.08212616684111

> <JCHEM_PKA_STRONGEST_BASIC>
8.354577639073

> <JCHEM_POLAR_SURFACE_AREA>
41.93

> <JCHEM_REFRACTIVITY>
84.4151

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.04e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,5R,13R,14S)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,16-tetraen-14-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       7.622   2.072   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.081   0.638   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.056  -0.566   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.598  -0.406   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.177   1.024   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.207   2.248   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       9.799   3.670   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      11.326   3.868   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.501  -1.965   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.971  -1.986   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.869  -0.518   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.048  -0.244   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.468   1.140   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.511   2.261   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.053   1.962   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.458   0.408   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.878  -0.709   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.611  -2.363   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       4.960  -3.081   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       5.217  -4.599   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.293   2.899   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       3.035   3.725   0.000  0.00  0.00           O+0
CONECT    1    2    6   21                                                  
CONECT    2    1    3   16                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    3   10                                                       
CONECT   10    9   11   19                                                  
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   22                                                  
CONECT   15   14   16   21                                                  
CONECT   16   15    2   11   17                                             
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   10   20                                                  
CONECT   20   19                                                            
CONECT   21   15    1                                                       
CONECT   22   14                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₁NO₃

Average Mass

299.3700 Da

Monoisotopic Mass

299.15214 Da

IUPAC Name

(1S,5R,13R,14S)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,16-tetraen-14-ol

Traditional Name

(1S,5R,13R,14S)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,16-tetraen-14-ol

CAS Registry Number

Not Available

SMILES

COC1=CC=C2C[C@H]3N(C)CC[C@@]45[C@@H](OC1=C24)[C@@H](O)CC=C35

InChI Identifier

InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12-13,17,20H,5,7-9H2,1-2H3/t12-,13+,17+,18+/m1/s1

InChI Key

NNDKZTBFZTWKLA-QISBLDNZSA-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 bracteatum	Plant	KNApSAcK
Papaver somniferum	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenanthrenes and derivatives

Sub Class

Not Available

Direct Parent

Phenanthrenes and derivatives

Alternative Parents

Substituents

Phenanthrene
Tetralin
Coumaran
Anisole
Alkyl aryl ether
Aralkylamine
Piperidine
Secondary alcohol
Tertiary amine
Tertiary aliphatic amine
Ether
Oxacycle
Azacycle
Organoheterocyclic compound
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Alcohol
Hydrocarbon derivative
Organic nitrogen compound
Amine
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

isoquinolines (CHEBI:7509 )
Isoquinoline alkaloids (C09594 )

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	1.52	ALOGPS
logP	1.22	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	14.08	ChemAxon
pKa (Strongest Basic)	8.35	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	1	ChemAxon
Refractivity	84.42 m³·mol⁻¹	ChemAxon
Polarizability	32.2 Å³	ChemAxon
Number of Rings	5	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

C00001893

Chemspider ID

4575408

KEGG Compound ID

C09594

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5462437

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Dastmalchi M, Chen X, Hagel JM, Chang L, Chen R, Ramasamy S, Yeaman S, Facchini PJ: Neopinone isomerase is involved in codeine and morphine biosynthesis in opium poppy. Nat Chem Biol. 2019 Apr;15(4):384-390. doi: 10.1038/s41589-019-0247-0. Epub 2019 Mar 18. [PubMed:30886433 ]
Dastmalchi M, Chang L, Torres MA, Ng KKS, Facchini PJ: Codeinone reductase isoforms with differential stability, efficiency and product selectivity in opium poppy. Plant J. 2018 May 19. doi: 10.1111/tpj.13975. [PubMed:29779229 ]
Thodey K, Galanie S, Smolke CD: A microbial biomanufacturing platform for natural and semisynthetic opioids. Nat Chem Biol. 2014 Oct;10(10):837-44. doi: 10.1038/nchembio.1613. Epub 2014 Aug 24. [PubMed:25151135 ]
Al-Amri AM, Smith RM, El-Haj BM: The GC-MS detection and characterization of neopine resulting from opium use and codeine metabolism and its potential as an opiate-product-use marker. Anal Bioanal Chem. 2005 Jun;382(3):830-5. doi: 10.1007/s00216-005-3168-6. Epub 2005 Mar 22. [PubMed:15782326 ]

Showing NP-Card for Neopine (NP0051008)

MOL for NP0051008 (Neopine)

3D MOL for NP0051008 (Neopine)

3D SDF for NP0051008 (Neopine)

3D-SDF for NP0051008 (Neopine)

PDB for NP0051008 (Neopine)

3D PDB for NP0051008 (Neopine)

SMILES for NP0051008 (Neopine)

INCHI for NP0051008 (Neopine)

Structure for NP0051008 (Neopine)

3D Structure for NP0051008 (Neopine)