NP-MRD: Showing NP-Card for Dihydroperaksine (NP0140714)

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Record Information

Version

2.0

Created at

2022-06-29 21:48:16 UTC

Updated at

2022-06-29 21:48:16 UTC

NP-MRD ID

NP0140714

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Dihydroperaksine

Description

Dihydroperaksine belongs to the class of organic compounds known as macroline alkaloids. These are alkaloids with a structure that is based on the tetracyclic macroline skeleton. The macroline skeleton arises by scission of the C-21 to N-4 bond of the akuammilan skeleton, and mostly occurs in bisindole alkaloids. Dihydroperaksine was first documented in 2011 (PMID: 21877687). Based on a literature review a small amount of articles have been published on Dihydroperaksine (PMID: 29244896) (PMID: 25247616).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 51  0  0  0  0  0  0  0  0999 V2000
   -3.0112   -1.8180    1.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1413   -1.3882    0.1644 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6717   -0.1502   -0.5271 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8402   -0.4561   -1.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8466   -1.0000   -0.6492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4989    0.4252   -1.3182 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5648   -0.7144   -1.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0642   -1.3625   -0.5611 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4368   -0.9381   -0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5924   -1.2950   -0.9102 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6259   -0.6748   -0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9767   -0.7087   -0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8015    0.0662    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3066    0.8564    1.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9640    0.8618    1.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1046    0.1066    0.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7317   -0.0478    0.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798    0.5386    1.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6616    0.3496    0.9396 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6761    1.2131   -0.3030 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3391    2.5381   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6115    3.2904    0.8254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7843   -1.0627    0.6030 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8313   -2.4472    0.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326   -2.4562    1.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4881   -0.9580    1.8304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1280   -2.2017   -0.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0106    0.5329    0.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2122    0.5084   -1.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5736   -1.1849   -2.2106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1721   -0.3742    0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8005    1.0078   -2.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1912   -1.3988   -2.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1833   -0.2202   -2.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0364   -2.4769   -0.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6898   -1.9583   -1.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4400   -1.2945   -1.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8642    0.0760   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9812    1.4612    1.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5415    1.4690    2.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6671    0.0785    2.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751    1.6365    1.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4883    0.5895    1.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3550    1.3713   -0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3197    3.1215   -1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4019    2.4647    0.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1474    4.0243    1.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8 23  1  0
 23 19  1  0
 19 18  1  0
 18 17  1  0
 17  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 23  2  1  0
 16 17  1  0
 20  6  1  0
  9  8  1  0
 16 11  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  6
  3 28  1  1
  4 29  1  0
  4 30  1  0
  5 31  1  0
  6 32  1  6
  7 33  1  0
  7 34  1  0
  8 35  1  6
 19 43  1  1
 18 41  1  0
 18 42  1  0
 10 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 20 44  1  6
 21 45  1  0
 21 46  1  0
 22 47  1  0
M  END


  Mrv1652306292223482D          

 23 27  0  0  1  0            999 V2000
    0.0950   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2871   -0.1230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2627    0.5152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3854    1.0602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1650    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8938    0.1682    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0821    0.2036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4501    1.1610    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8279    1.7657    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7294    2.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292    2.9090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2834    1.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0240    0.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7490    0.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4038   -0.3026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0834    0.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857   -0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4533    0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2186    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4163    1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8487    0.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0850    0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5535   -0.0977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  6 14  1  1  0  0  0
 14 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
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 13 21  1  0  0  0  0
 16 21  1  0  0  0  0
  3 22  1  6  0  0  0
 22 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0140714

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@H](CO)[C@@H]2C[C@@H]3N1[C@@H](CC1=C3NC3=CC=CC=C13)[C@@H]2CO

> <INCHI_IDENTIFIER>
InChI=1S/C19H24N2O2/c1-10-14(8-22)12-6-18-19-13(7-17(21(10)18)15(12)9-23)11-4-2-3-5-16(11)20-19/h2-5,10,12,14-15,17-18,20,22-23H,6-9H2,1H3/t10-,12-,14-,15+,17-,18-/m0/s1

> <INCHI_KEY>
PBLXNPSLWYWTKM-KYGVLOPESA-N

> <FORMULA>
C19H24N2O2

> <MOLECULAR_WEIGHT>
312.413

> <EXACT_MASS>
312.183778021

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
35.76370435875589

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
[(1S,12S,13R,14S,15R,16S)-13-(hydroxymethyl)-16-methyl-3,17-diazapentacyclo[12.3.1.0^{2,10}.0^{4,9}.0^{12,17}]octadeca-2(10),4,6,8-tetraen-15-yl]methanol

> <ALOGPS_LOGP>
1.77

> <JCHEM_LOGP>
1.1129575890000005

> <ALOGPS_LOGS>
-2.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
15.646266204688793

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.086635631590223

> <JCHEM_PKA_STRONGEST_BASIC>
7.098228084022901

> <JCHEM_POLAR_SURFACE_AREA>
59.489999999999995

> <JCHEM_REFRACTIVITY>
90.1955

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.72e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(1S,12S,13R,14S,15R,16S)-13-(hydroxymethyl)-16-methyl-3,17-diazapentacyclo[12.3.1.0^{2,10}.0^{4,9}.0^{12,17}]octadeca-2(10),4,6,8-tetraen-15-yl]methanol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUN-22         0                                  
HETATM    1  C   UNK     0       0.177  -1.727   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.536  -0.230   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.490   0.962   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.719   1.979   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.175   1.320   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.535   0.314   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       2.020   0.380   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       2.707   2.167   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.545   3.296   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.362   4.825   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.055   5.430   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.262   2.585   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.645   1.824   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.131   0.372   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       6.354  -0.565   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       7.622   0.308   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.120  -0.051   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.180   1.067   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.741   2.543   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.244   2.902   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.184   1.784   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.025   1.085   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -2.900  -0.182   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4   22                                                  
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   14                                                  
CONECT    7    6    2    8                                                  
CONECT    8    7    9   12                                                  
CONECT    9    8    4   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    8   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13    6   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   13   16                                                  
CONECT   22    3   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₄N₂O₂

Average Mass

312.4130 Da

Monoisotopic Mass

312.18378 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@H](CO)[C@@H]2C[C@@H]3N1[C@@H](CC1=C3NC3=CC=CC=C13)[C@@H]2CO

InChI Identifier

InChI=1S/C19H24N2O2/c1-10-14(8-22)12-6-18-19-13(7-17(21(10)18)15(12)9-23)11-4-2-3-5-16(11)20-19/h2-5,10,12,14-15,17-18,20,22-23H,6-9H2,1H3/t10-,12-,14-,15+,17-,18-/m0/s1

InChI Key

PBLXNPSLWYWTKM-KYGVLOPESA-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 macroline alkaloids. These are alkaloids with a structure that is based on the tetracyclic macroline skeleton. The macroline skeleton arises by scission of the C-21 to N-4 bond of the akuammilan skeleton, and mostly occurs in bisindole alkaloids.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Macroline alkaloids

Sub Class

Not Available

Direct Parent

Macroline alkaloids

Alternative Parents

Substituents

Macroline skeleton
Sarpagine-skeleton
Vobasan skeleton
Beta-carboline
Pyridoindole
3-alkylindole
Indole
Indole or derivatives
Quinuclidine
Aralkylamine
Benzenoid
Piperidine
1,3-aminoalcohol
Pyrrole
Heteroaromatic compound
Tertiary aliphatic amine
Tertiary amine
Organoheterocyclic compound
Azacycle
Primary alcohol
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Amine
Alcohol
Organic nitrogen 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

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

9078315

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10903055

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Rahman MT, Deschamps JR, Imler GH, Cook JM: Total Synthesis of Sarpagine-Related Bioactive Indole Alkaloids. Chemistry. 2018 Feb 16;24(10):2354-2359. doi: 10.1002/chem.201705575. Epub 2018 Jan 23. [PubMed:29244896 ]
Edwankar RV, Edwankar CR, Deschamps JR, Cook JM: General strategy for synthesis of C-19 methyl-substituted sarpagine/macroline/ajmaline indole alkaloids including total synthesis of 19(S),20(R)-dihydroperaksine, 19(S),20(R)-dihydroperaksine-17-al, and peraksine. J Org Chem. 2014 Nov 7;79(21):10030-48. doi: 10.1021/jo5016163. Epub 2014 Oct 15. [PubMed:25247616 ]
Edwankar RV, Edwankar CR, Deschamps J, Cook JM: Regiospecific, enantiospecific total synthesis of C-19 methyl substituted sarpagine alkaloids dihydroperaksine-17-al and dihydroperaksine. Org Lett. 2011 Oct 7;13(19):5216-9. doi: 10.1021/ol202101p. Epub 2011 Aug 30. [PubMed:21877687 ]

Showing NP-Card for Dihydroperaksine (NP0140714)

MOL for NP0140714 (Dihydroperaksine)

3D MOL for NP0140714 (Dihydroperaksine)

3D SDF for NP0140714 (Dihydroperaksine)

3D-SDF for NP0140714 (Dihydroperaksine)

PDB for NP0140714 (Dihydroperaksine)

3D PDB for NP0140714 (Dihydroperaksine)

SMILES for NP0140714 (Dihydroperaksine)

INCHI for NP0140714 (Dihydroperaksine)

Structure for NP0140714 (Dihydroperaksine)

3D Structure for NP0140714 (Dihydroperaksine)