NP-MRD: Showing NP-Card for (-)-Wrightiamine A (NP0072569)

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Record Information

Version

2.0

Created at

2022-04-28 17:54:15 UTC

Updated at

2022-04-28 17:54:15 UTC

NP-MRD ID

NP0072569

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Wrightiamine A

Description

Wrightiamine A belongs to the class of organic compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms. Wrightiamine A is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. (-)-Wrightiamine A is found in Wrightia javanica DC. (-)-Wrightiamine A was first documented in 2003 (PMID: 12808258). Based on a literature review very few articles have been published on wrightiamine A.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 57 61  0  0  0  0  0  0  0  0999 V2000
    5.9887    0.2151    0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    0.8088   -0.0861 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9745    1.2445    1.1090 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7244    0.9824    1.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3486    0.3067   -0.1758 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6056    1.1247   -1.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2969    0.6343   -1.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4852   -0.2369   -0.6985 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2805   -0.6013    0.5851 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4689   -1.5797    1.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8145   -0.9322    1.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5725   -0.8019    0.4568 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0002   -0.4757    0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7747    0.0288   -0.4234 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.8038    0.9425    0.1020 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0143    0.7620   -1.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6347    0.2569   -1.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8753    0.2457   -0.3951 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9336    1.5945    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5992   -1.0065    0.0804 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5358   -1.6867    0.9793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8682   -1.4714    0.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6766   -0.2289   -0.6118 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1483   -0.7280   -0.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7788    0.9287   -0.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1859   -0.0324    1.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7094    1.6925   -0.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482    1.2277    1.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2672    1.3203   -2.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4851    2.1581   -0.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330    0.1651   -2.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3434    1.5391   -1.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6172   -1.2358   -1.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3145    0.3684    1.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6225   -2.5522    0.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532   -1.7212    2.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3602   -1.5400    2.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5723    0.0870    2.1095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996   -1.7848   -0.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4923   -1.4200    1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0409    0.2124    1.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3665   -0.8083   -0.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9365    1.7526   -0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4316    1.3793    0.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5846    0.6693   -2.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9915    1.8729   -1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1638    0.8925   -2.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7195   -0.7799   -2.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901    2.3422   -0.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0036    1.8669    0.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7719    1.7143    0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839   -1.5252   -0.9029 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6039   -1.2698    1.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3413   -2.7792    0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6548   -1.3636    0.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0785   -2.3535   -0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7698   -0.4212   -1.6778 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
  5  4  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  1
  9 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23  2  1  0
 20  5  1  0
 23  5  1  0
 18  8  1  0
 18 12  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  6
  4 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
  8 33  1  6
  9 34  1  1
 10 35  1  0
 10 36  1  0
 11 37  1  0
 11 38  1  0
 12 39  1  6
 13 40  1  0
 13 41  1  0
 14 42  1  6
 15 43  1  0
 15 44  1  0
 16 45  1  0
 16 46  1  0
 17 47  1  0
 17 48  1  0
 19 49  1  0
 19 50  1  0
 19 51  1  0
 20 52  1  6
 21 53  1  0
 21 54  1  0
 22 55  1  0
 22 56  1  0
 23 57  1  6
M  END


  Mrv1652304282219542D          

 23 27  0  0  1  0            999 V2000
    3.6048   -0.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014    0.3119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7791    1.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602    1.1719    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4637    0.5131    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7860   -0.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    0.6137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3226    1.3732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8191    2.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    1.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5037    1.4738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0072    0.8150    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3294    0.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7729    1.0836    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7584    1.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0306    2.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2694    0.4248    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7963   -0.2510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073   -0.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0943    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9671   -0.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9202    0.2113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  1  1  0  0  0
 12 15  1  0  0  0  0
 15 16  1  1  0  0  0
 16 17  1  0  0  0  0
 11 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 12 20  1  1  0  0  0
 18 21  1  1  0  0  0
  5 22  1  1  0  0  0
  2 23  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0072569

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1N=C[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@@H](N)CC[C@]45C)[C@@H]2CC[C@H]13

> <INCHI_IDENTIFIER>
InChI=1S/C21H34N2/c1-13-17-5-6-19-16-4-3-14-11-15(22)7-9-20(14,2)18(16)8-10-21(17,19)12-23-13/h12-19H,3-11,22H2,1-2H3/t13-,14-,15-,16+,17+,18-,19-,20-,21-/m0/s1

> <INCHI_KEY>
OWJXANQNZAVDIW-XLVUHOLYSA-N

> <FORMULA>
C21H34N2

> <MOLECULAR_WEIGHT>
314.517

> <EXACT_MASS>
314.272199103

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
39.01605113299843

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2S,5S,6S,9R,12S,13S,16S,18S)-6,13-dimethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-7-en-16-amine

> <ALOGPS_LOGP>
4.66

> <JCHEM_LOGP>
3.460546330000001

> <ALOGPS_LOGS>
-6.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.445437715656727

> <JCHEM_POLAR_SURFACE_AREA>
38.379999999999995

> <JCHEM_REFRACTIVITY>
95.07659999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.96e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,5S,6S,9R,12S,13S,16S,18S)-6,13-dimethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-7-en-16-amine

> <JCHEM_VEBER_RULE>
1

$$$$

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       6.729  -0.648   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.656   0.582   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.054   2.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.526   2.188   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.599   0.958   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.200  -0.460   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.070   1.146   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.469   2.563   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.396   3.793   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.924   3.605   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.940   2.751   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.013   1.521   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.615   0.104   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.143  -0.084   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.443   2.023   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.416   3.563   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.057   4.013   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.370   0.793   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -1.486  -0.469   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -0.014  -0.018   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.909   0.820   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.672  -0.272   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       9.184   0.394   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3   23                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7   22                                             
CONECT    6    5    1                                                       
CONECT    7    5    8   14                                                  
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9    4                                                       
CONECT   11    8   12   17                                                  
CONECT   12   11   13   15   20                                             
CONECT   13   12   14                                                       
CONECT   14   13    7                                                       
CONECT   15   12   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16   11                                                       
CONECT   18   15   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19   12                                                       
CONECT   21   18                                                            
CONECT   22    5                                                            
CONECT   23    2                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₃₄N₂

Average Mass

314.5170 Da

Monoisotopic Mass

314.27220 Da

IUPAC Name

(1R,2S,5S,6S,9R,12S,13S,16S,18S)-6,13-dimethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-7-en-16-amine

Traditional Name

(1R,2S,5S,6S,9R,12S,13S,16S,18S)-6,13-dimethyl-7-azapentacyclo[10.8.0.0^{2,9}.0^{5,9}.0^{13,18}]icos-7-en-16-amine

CAS Registry Number

Not Available

SMILES

C[C@@H]1N=C[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@@H](N)CC[C@]45C)[C@@H]2CC[C@H]13

InChI Identifier

InChI=1S/C21H34N2/c1-13-17-5-6-19-16-4-3-14-11-15(22)7-9-20(14,2)18(16)8-10-21(17,19)12-23-13/h12-19H,3-11,22H2,1-2H3/t13-,14-,15-,16+,17+,18-,19-,20-,21-/m0/s1

InChI Key

OWJXANQNZAVDIW-XLVUHOLYSA-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
Wrightia javanica DC	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrrolines

Sub Class

Not Available

Direct Parent

Pyrrolines

Alternative Parents

Substituents

Pyrroline
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Organonitrogen compound
Primary aliphatic amine
Imine
Amine
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

organic heteropentacyclic compound (CHEBI:66330 )
primary amino compound (CHEBI:66330 )
organonitrogen heterocyclic compound (CHEBI:66330 )
steroid alkaloid (CHEBI:66330 )

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	4.66	ALOGPS
logP	3.46	ChemAxon
logS	-6.2	ALOGPS
pKa (Strongest Basic)	10.45	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	38.38 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	95.08 m³·mol⁻¹	ChemAxon
Polarizability	39.02 Å³	ChemAxon
Number of Rings	5	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00032515

Chemspider ID

9284967

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11109831

PDB ID

Not Available

ChEBI ID

66330

Good Scents ID

Not Available

References

General References

Kawamoto S, Koyano T, Kowithayakorn T, Fujimoto H, Okuyama E, Hayashi M, Komiyama K, Ishibashi M: Wrightiamines A and B, two new cytotoxic pregnane alkaloids from Wrightia javanica. Chem Pharm Bull (Tokyo). 2003 Jun;51(6):737-9. doi: 10.1248/cpb.51.737. [PubMed:12808258 ]

Showing NP-Card for (-)-Wrightiamine A (NP0072569)

MOL for NP0072569 ((-)-Wrightiamine A)

3D MOL for NP0072569 ((-)-Wrightiamine A)

3D SDF for NP0072569 ((-)-Wrightiamine A)

3D-SDF for NP0072569 ((-)-Wrightiamine A)

PDB for NP0072569 ((-)-Wrightiamine A)

3D PDB for NP0072569 ((-)-Wrightiamine A)

SMILES for NP0072569 ((-)-Wrightiamine A)

INCHI for NP0072569 ((-)-Wrightiamine A)

Structure for NP0072569 ((-)-Wrightiamine A)

3D Structure for NP0072569 ((-)-Wrightiamine A)