NP-MRD: Showing NP-Card for (-)-Oblongine (NP0083641)

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Record Information

Version

2.0

Created at

2022-04-29 04:37:01 UTC

Updated at

2022-04-29 04:37:01 UTC

NP-MRD ID

NP0083641

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Oblongine

Description

Oblongine belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. Oblongine is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Oblongine has been detected, but not quantified in, fruits. (-)-Oblongine is found in Litsea cubeba and Xylopia parviflora . This could make oblongine a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 49  0  0  0  0  0  0  0  0999 V2000
   -2.8958    3.8252   -1.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8093    2.9562   -1.2395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8262    1.7076   -0.6238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9441    1.3287    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9485    0.1079    0.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8358   -0.7400    0.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7194   -0.3756   -0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7297    0.8694   -0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3532    1.3427   -1.4575 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4587   -1.2759   -0.2269 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5257   -0.9878    0.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1159    0.3514    0.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2004    0.7015   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7053    1.9835   -0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1476    2.9633    0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6670    4.2701    0.7862 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0665    2.6290    1.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5713    1.3458    1.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297   -2.6472   -0.1270 N   0  0  1  0  0  4  0  0  0  0  0  0
   -0.9587   -2.9466   -1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0159   -3.6244   -0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7433   -2.8428    1.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9751   -2.0346    1.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536    4.8214   -1.5332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2146    3.9002   -0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7187    3.4255   -1.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8232    1.9718    0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8361   -0.1839    1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3754    2.2266   -1.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672   -1.1544   -1.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1161   -1.1280    1.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3708   -1.7142    0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532   -0.0499   -0.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5517    2.2461   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3988    4.4205    1.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6276    3.4082    2.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7179    1.1258    2.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5437   -2.0550   -1.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4315   -3.3404   -2.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6468   -3.7580   -0.8378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8111   -3.4105   -0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4278   -3.8539    0.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5475   -4.5912   -0.4948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0650   -2.7616    1.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0466   -3.9353    1.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8368   -2.6209    0.8431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1603   -1.8961    2.3614 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
  8  7  1  0
  7  6  2  0
  6 23  1  0
 23 22  1  0
 22 19  1  0
 19 20  1  6
 19 21  1  0
 19 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  6  5  1  0
  5  4  2  0
  4  3  1  0
 10  7  1  0
 18 12  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  9 29  1  0
 23 46  1  0
 23 47  1  0
 22 44  1  0
 22 45  1  0
 20 38  1  0
 20 39  1  0
 20 40  1  0
 21 41  1  0
 21 42  1  0
 21 43  1  0
 10 30  1  6
 11 31  1  0
 11 32  1  0
 13 33  1  0
 14 34  1  0
 16 35  1  0
 17 36  1  0
 18 37  1  0
  5 28  1  0
  4 27  1  0
M  CHG  1  19   1
M  END


  Mrv0541 05061312032D          

 23 25  0  0  0  0            999 V2000
    2.9559    1.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    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
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    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    0.8250    0.0000 C   0  0  0  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
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    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
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    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
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 O   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
  7  4  1  0  0  0  0
  8  5  2  0  0  0  0
  9  6  2  0  0  0  0
 11 10  1  0  0  0  0
 13  4  2  0  0  0  0
 13  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 15  8  1  0  0  0  0
 16 12  1  0  0  0  0
 17  9  1  0  0  0  0
 18 14  2  0  0  0  0
 18 16  1  0  0  0  0
 19 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20  1  1  0  0  0  0
 20  2  1  0  0  0  0
 20 11  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 23  3  1  0  0  0  0
 23 17  1  0  0  0  0
M  CHG  1  20   1
M  END
> <DATABASE_ID>
NP0083641

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C2=C(CC[N+](C)(C)C2CC2=CC=C(O)C=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H23NO3/c1-20(2)11-10-14-6-9-17(23-3)19(22)18(14)16(20)12-13-4-7-15(21)8-5-13/h4-9,16H,10-12H2,1-3H3,(H-,21,22)/p+1

> <INCHI_KEY>
POJZOQWVMMYVBU-UHFFFAOYSA-O

> <FORMULA>
C19H24NO3

> <MOLECULAR_WEIGHT>
314.3988

> <EXACT_MASS>
314.175618639

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
34.21243401310805

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium

> <ALOGPS_LOGP>
0.95

> <JCHEM_LOGP>
-0.8997060438050789

> <ALOGPS_LOGS>
-5.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.059414764737532

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.769797978477715

> <JCHEM_PKA_STRONGEST_BASIC>
-4.8913290869530615

> <JCHEM_POLAR_SURFACE_AREA>
49.69

> <JCHEM_REFRACTIVITY>
103.28669999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.14e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium

> <JCHEM_VEBER_RULE>
0

$$$$

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       5.518   3.583   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.528   5.297   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   9.240   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668   8.470   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       4.001   3.850   0.000  0.00  0.00           N+1
HETATM   21  O   UNK     0       8.002   9.240   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.000   6.160   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -2.667   4.620   0.000  0.00  0.00           O+0
CONECT    1   20                                                            
CONECT    2   20                                                            
CONECT    3   23                                                            
CONECT    4    7   13                                                       
CONECT    5    8   13                                                       
CONECT    6    9   14                                                       
CONECT    7    4   15                                                       
CONECT    8    5   15                                                       
CONECT    9    6   17                                                       
CONECT   10   11   14                                                       
CONECT   11   10   20                                                       
CONECT   12   13   16                                                       
CONECT   13    4    5   12                                                  
CONECT   14    6   10   18                                                  
CONECT   15    7    8   21                                                  
CONECT   16   12   18   20                                                  
CONECT   17    9   19   23                                                  
CONECT   18   14   16   19                                                  
CONECT   19   17   18   22                                                  
CONECT   20    1    2   11   16                                             
CONECT   21   15                                                            
CONECT   22   19                                                            
CONECT   23    3   17                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
1,2,3,4-Tetrahydro-8-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethylisoquinolinium	HMDB
Oblongine?	HMDB
Oblongine chloride, (-)-isomer	MeSH
Oblongine chloride, (+-)-isomer	MeSH
Oblongine chloride	MeSH

Chemical Formula

C₁₉H₂₄NO₃

Average Mass

314.3988 Da

Monoisotopic Mass

314.17562 Da

IUPAC Name

8-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Traditional Name

8-hydroxy-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium

CAS Registry Number

Not Available

SMILES

COC1=C(O)C2=C(CC[N+](C)(C)C2CC2=CC=C(O)C=C2)C=C1

InChI Identifier

InChI=1S/C19H23NO3/c1-20(2)11-10-14-6-9-17(23-3)19(22)18(14)16(20)12-13-4-7-15(21)8-5-13/h4-9,16H,10-12H2,1-3H3,(H-,21,22)/p+1

InChI Key

POJZOQWVMMYVBU-UHFFFAOYSA-O

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
Litsea cubeba	Plant	KNApSAcK
Xylopia parviflora	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Sub Class

Benzylisoquinolines

Direct Parent

Benzylisoquinolines

Alternative Parents

Substituents

Benzylisoquinoline
Tetrahydroisoquinoline
Anisole
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Aralkylamine
Monocyclic benzene moiety
Benzenoid
Tetraalkylammonium salt
Quaternary ammonium salt
Ether
Azacycle
Amine
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen compound
Organic salt
Organic cation
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	0.95	ALOGPS
logP	-0.9	ChemAxon
logS	-5.2	ALOGPS
pKa (Strongest Acidic)	6.77	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	49.69 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	103.29 m³·mol⁻¹	ChemAxon
Polarizability	34.21 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0040697

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB020499

KNApSAcK ID

Not Available

Chemspider ID

138294

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

157129

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (-)-Oblongine (NP0083641)

MOL for NP0083641 ((-)-Oblongine)

3D MOL for NP0083641 ((-)-Oblongine)

3D SDF for NP0083641 ((-)-Oblongine)

3D-SDF for NP0083641 ((-)-Oblongine)

PDB for NP0083641 ((-)-Oblongine)

3D PDB for NP0083641 ((-)-Oblongine)

SMILES for NP0083641 ((-)-Oblongine)

INCHI for NP0083641 ((-)-Oblongine)

Structure for NP0083641 ((-)-Oblongine)

3D Structure for NP0083641 ((-)-Oblongine)