NP-MRD: Showing NP-Card for Homoormosanine (NP0051275)

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Record Information

Version

2.0

Created at

2022-04-27 22:39:33 UTC

Updated at

2022-04-27 22:39:33 UTC

NP-MRD ID

NP0051275

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Homoormosanine

Description

Homoormosanine belongs to the class of organic compounds known as ormosia-type alkaloids. These are aloperine alkaloids with a structure based on the ormosanine skeleton. Homoormosanine is found in Bowdichia virgilioides, Connarus paniculatus and Ormosia nobilis. Homoormosanine was first documented in 2005 (PMID: 15706612). Based on a literature review very few articles have been published on Homoormosanine.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 59 64  0  0  0  0  0  0  0  0999 V2000
    4.4895   -1.7509   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7455   -2.5281   -1.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2458   -2.3378   -1.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137   -1.0349   -1.2360 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5337   -0.6421   -1.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2082   -0.0583   -0.2913 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9564    0.1477    0.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8356    0.9797   -0.2596 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6486    2.2967    0.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1491    2.5327   -0.1160 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4958    3.6048    0.6583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8106    3.9006   -0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5420    2.7136   -0.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8003    1.6450   -1.1434 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6574    0.4437   -1.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5200   -0.1747    0.2266 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6468   -0.9041    0.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3742   -2.3373    0.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1574   -2.5878    1.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0291   -1.6065    1.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2818   -0.9697    0.2118 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6965    1.3319   -0.2464 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7996    0.0206   -0.6964 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7399   -0.5319    0.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4903   -1.4891   -0.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7173   -2.3703    0.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1294   -2.3738   -2.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9229   -3.6197   -0.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9163   -2.8854   -0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8313   -2.9544   -1.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0451   -1.6525   -1.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3615   -0.1293   -2.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6709    0.6405    1.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3104   -0.8365    0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4237    1.1673   -1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6919    2.3777    1.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2617    3.0921   -0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2316    2.9446   -1.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1113    4.5314    0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7000    3.3337    1.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6044    4.6441   -0.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4455    4.4209    0.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2929    3.0494   -1.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1536    2.2766    0.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2841   -0.2481   -1.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6983    0.6992   -1.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5248   -0.8582    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0011   -0.4227    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2596   -2.7362    1.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3627   -2.8930    0.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3743   -2.5961    2.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8293   -3.6446    1.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1075   -2.1943    1.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126   -0.8733    2.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4491   -1.7638   -0.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2399    1.3332    0.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4638    0.2820   -1.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5247    0.2729    0.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2982   -0.6773    1.3316 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
  6  5  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
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 14 22  1  0
  8 23  1  0
 23 24  1  0
 24  1  1  0
 23  4  1  0
 21  6  1  0
 22  6  1  0
 22 10  1  0
 21 16  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  5 31  1  0
  5 32  1  0
  7 33  1  0
  7 34  1  0
  8 35  1  6
  9 36  1  0
  9 37  1  0
 10 38  1  6
 11 39  1  0
 11 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 13 44  1  0
 15 45  1  0
 15 46  1  0
 17 47  1  0
 17 48  1  0
 18 49  1  0
 18 50  1  0
 19 51  1  0
 19 52  1  0
 20 53  1  0
 20 54  1  0
 21 55  1  6
 22 56  1  1
 23 57  1  6
 24 58  1  0
 24 59  1  0
M  END


  Mrv1652304282200392D          

 24 29  0  0  1  0            999 V2000
    5.7216    2.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8736    1.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2474    0.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4692    1.0972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3172    1.9080    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9434    2.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4999    2.2018    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2050    1.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255    0.8222    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7911    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1168    1.2210    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0317    2.0902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7305    2.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2997    2.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105    2.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6522    1.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3949    0.7870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4420   -0.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1656   -0.4616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8643   -0.0230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5936   -0.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6242   -1.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255   -1.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1962   -1.2861    0.0000 C   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
  3  4  1  0  0  0  0
  5  4  1  1  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  1  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0051275

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C1CCN2C[C@]34C[C@@H](C[C@@H]5CCCN(CN6CCCC[C@H]36)[C@@H]45)[C@H]2C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H35N3/c1-3-9-22-14-21-13-17(18(22)7-1)12-16-6-5-11-24(20(16)21)15-23-10-4-2-8-19(21)23/h16-20H,1-15H2/t16-,17+,18+,19+,20+,21+/m0/s1

> <INCHI_KEY>
GFDFZTFQPIBNSQ-WSBLSWJJSA-N

> <FORMULA>
C21H35N3

> <MOLECULAR_WEIGHT>
329.532

> <EXACT_MASS>
329.283098139

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
40.041811773996045

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R,13S,15R,16R,23R)-7,9,21-triazahexacyclo[11.9.1.1^{1,15}.0^{2,7}.0^{9,23}.0^{16,21}]tetracosane

> <ALOGPS_LOGP>
3.03

> <JCHEM_LOGP>
3.1300867180000003

> <ALOGPS_LOGS>
-2.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.902640898456834

> <JCHEM_POLAR_SURFACE_AREA>
9.72

> <JCHEM_REFRACTIVITY>
98.81989999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.26e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,13S,15R,16R,23R)-7,9,21-triazahexacyclo[11.9.1.1^{1,15}.0^{2,7}.0^{9,23}.0^{16,21}]tetracosane

> <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      10.680   4.053   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.964   2.539   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.795   1.537   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       8.342   2.048   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       8.059   3.562   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.228   4.564   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.533   4.110   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.983   2.773   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.461   1.535   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.077   1.041   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.951   2.279   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.792   3.902   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.097   4.797   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.426   4.633   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.140   3.788   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.217   2.233   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       2.604   1.469   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       2.692  -0.103   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       4.043  -0.862   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       5.347  -0.043   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.708  -0.763   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.765  -2.302   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.461  -3.121   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.100  -2.401   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8   13                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11   20                                             
CONECT   10    9    4                                                       
CONECT   11    9   12   17                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12    7                                                       
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   11   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19    9   21                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   19                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   58    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₃₅N₃

Average Mass

329.5320 Da

Monoisotopic Mass

329.28310 Da

IUPAC Name

(1R,2R,13S,15R,16R,23R)-7,9,21-triazahexacyclo[11.9.1.1^{1,15}.0^{2,7}.0^{9,23}.0^{16,21}]tetracosane

Traditional Name

(1R,2R,13S,15R,16R,23R)-7,9,21-triazahexacyclo[11.9.1.1^{1,15}.0^{2,7}.0^{9,23}.0^{16,21}]tetracosane

CAS Registry Number

Not Available

SMILES

C1CCN2C[C@]34C[C@@H](C[C@@H]5CCCN(CN6CCCC[C@H]36)[C@@H]45)[C@H]2C1

InChI Identifier

InChI=1S/C21H35N3/c1-3-9-22-14-21-13-17(18(22)7-1)12-16-6-5-11-24(20(16)21)15-23-10-4-2-8-19(21)23/h16-20H,1-15H2/t16-,17+,18+,19+,20+,21+/m0/s1

InChI Key

GFDFZTFQPIBNSQ-WSBLSWJJSA-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
Bowdichia virgilioides	LOTUS Database	35616633
Connarus paniculatus	Plant	KNApSAcK
Ormosia nobilis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ormosia-type alkaloids. These are aloperine alkaloids with a structure based on the ormosanine skeleton.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Lupin alkaloids

Sub Class

Aloperine and related alkaloids

Direct Parent

Ormosia-type alkaloids

Alternative Parents

Substituents

Ormosia-type alkaloid
Azaspirodecane
Quinolidine
Quinolizidine
Pyridopyrimidine
1,3-diazinane
Piperidine
Pyridine
Pyrimidine
Tertiary aliphatic amine
Tertiary amine
Aminal
Azacycle
Organoheterocyclic compound
Organonitrogen compound
Organopnictogen compound
Organic nitrogen compound
Hydrocarbon derivative
Amine
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	3.03	ALOGPS
logP	3.13	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Basic)	9.9	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	9.72 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	98.82 m³·mol⁻¹	ChemAxon
Polarizability	40.04 Å³	ChemAxon
Number of Rings	6	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

C00002222

Chemspider ID

391256

KEGG Compound ID

C10768

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

442953

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Le PM, Martin MT, Van Hung N, Guenard D, Sevenet T, Platzer N: NMR study of quinolizidine alkaloids: relative configurations, conformations. Magn Reson Chem. 2005 Apr;43(4):283-93. doi: 10.1002/mrc.1554. [PubMed:15706612 ]

Showing NP-Card for Homoormosanine (NP0051275)

MOL for NP0051275 (Homoormosanine)

3D MOL for NP0051275 (Homoormosanine)

3D SDF for NP0051275 (Homoormosanine)

3D-SDF for NP0051275 (Homoormosanine)

PDB for NP0051275 (Homoormosanine)

3D PDB for NP0051275 (Homoormosanine)

SMILES for NP0051275 (Homoormosanine)

INCHI for NP0051275 (Homoormosanine)

Structure for NP0051275 (Homoormosanine)

3D Structure for NP0051275 (Homoormosanine)