NP-MRD: Showing NP-Card for (11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde (NP0320836)

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Record Information

Version

2.0

Created at

2022-09-11 22:42:54 UTC

Updated at

2022-09-11 22:42:54 UTC

NP-MRD ID

NP0320836

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde

Description

Vincanidine belongs to the class of organic compounds known as strychnos alkaloids. These are alkaloids having a core structure based on the strychnan, stemmadenine (seco-curan), or the akuammicine (curan) skeleton. (11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde is found in Amsonia elliptica and Vinca minor. (11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde was first documented in 1991 (PMID: 17226203). Based on a literature review very few articles have been published on Vincanidine.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 47  0  0  0  0  0  0  0  0999 V2000
    4.4618   -0.4648   -0.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4991    0.6679   -0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4443    0.5397    0.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2981   -0.6799    1.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9540   -1.1720    1.4974 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7312   -2.0955    0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1852   -1.2455   -0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6332   -0.2287    0.0682 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5565    1.1055   -0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6099    1.7803   -0.5276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9507    2.5985   -1.6594 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2527    2.7380   -2.6806 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4663    1.6381    0.7070 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4686    1.2076    1.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0477   -0.1569    1.4186 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8349    1.3873   -1.0863 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7619    0.3689   -0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1161    0.1833   -0.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8026    1.1285   -1.6934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8167   -0.8936   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1163   -1.8352    0.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7654   -1.6635    0.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0676   -0.5595   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8132   -0.7608    0.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3492   -0.1177   -0.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0316   -1.3534   -0.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    1.5532   -0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6955   -0.5671    2.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9146   -1.4756    0.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0838   -2.9415    0.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6995   -2.5117    0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9835   -0.7682   -1.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447   -1.8742   -1.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8979    3.1432   -1.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385    2.6029    0.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3821    1.9055    1.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870    1.1441    2.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8407   -0.4088    2.1677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0533    2.2577   -1.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3408    1.9404   -2.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8850   -1.0377   -0.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6652   -2.6886    0.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2133   -2.3902    1.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8 15  1  0
 15 14  1  0
 14 13  1  0
 13 10  1  0
 10 11  1  0
 11 12  2  0
 10  9  2  0
  9 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 13  3  1  0
 23 17  1  0
 15  5  1  0
  9  8  1  0
 23  8  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  4 28  1  0
  4 29  1  0
  6 30  1  0
  6 31  1  0
  7 32  1  0
  7 33  1  0
 15 38  1  1
 14 36  1  0
 14 37  1  0
 13 35  1  1
 11 34  1  0
 16 39  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  0
 22 43  1  0
M  END


  Mrv1652309122200422D          

 23 27  0  0  1  0            999 V2000
   -0.9463    1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3876    0.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4175    1.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6530    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4957    2.1190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2033    2.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8876    2.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6952    1.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6165    0.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8135   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8120   -0.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0968   -1.3029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0093    0.3536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4051    0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9106    1.4418    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3758   -0.0054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625    0.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7872    0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1801   -0.1703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2189    1.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8260    1.9835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0013    2.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5696    1.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 10 13  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  1  0  0  0
 15 14  1  6  0  0  0
  5 15  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 17 23  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0320836

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C1/CN2CCC34[C@@H]2C[C@@H]1C(C=O)=C3NC1=C(O)C=CC=C41

> <INCHI_IDENTIFIER>
InChI=1S/C19H20N2O2/c1-2-11-9-21-7-6-19-14-4-3-5-15(23)17(14)20-18(19)13(10-22)12(11)8-16(19)21/h2-5,10,12,16,20,23H,6-9H2,1H3/b11-2+/t12-,16-,19?/m0/s1

> <INCHI_KEY>
JDOFCMASVRMYJU-FKJBLSBJSA-N

> <FORMULA>
C19H20N2O2

> <MOLECULAR_WEIGHT>
308.381

> <EXACT_MASS>
308.152477892

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
33.54087677682534

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(11S,12Z,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{14,17}]octadeca-2,4,6,9-tetraene-10-carbaldehyde

> <JCHEM_LOGP>
0.9071834645110246

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
17.2420191404186

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.789900192059365

> <JCHEM_PKA_STRONGEST_BASIC>
8.455155978581729

> <JCHEM_POLAR_SURFACE_AREA>
52.57000000000001

> <JCHEM_REFRACTIVITY>
92.8941

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(11S,12Z,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{14,17}]octadeca-2,4,6,9-tetraene-10-carbaldehyde

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.766   2.744   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.723   1.611   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.779   1.948   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.219   3.548   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       2.792   3.955   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       4.113   4.880   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.390   3.941   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.031   2.305   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.884   0.652   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.385  -0.125   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.382  -1.665   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.047  -2.432   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.884   0.660   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.623   1.539   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.566   2.691   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0       6.302  -0.010   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       7.397   1.078   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.936   1.036   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       9.669  -0.318   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       9.742   2.348   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.009   3.703   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.469   3.744   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.663   2.432   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   13                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   15                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   15   23                                             
CONECT    9    8   10   16                                                  
CONECT   10    9   11   13                                                  
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13   10    3   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14    5    8                                                  
CONECT   16    9   17                                                       
CONECT   17   16   18   23                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   17    8                                                  
MASTER        0    0    0    0    0    0    0    0   23    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₀N₂O₂

Average Mass

308.3810 Da

Monoisotopic Mass

308.15248 Da

IUPAC Name

(11S,12Z,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{14,17}]octadeca-2,4,6,9-tetraene-10-carbaldehyde

Traditional Name

(11S,12Z,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{14,17}]octadeca-2,4,6,9-tetraene-10-carbaldehyde

CAS Registry Number

Not Available

SMILES

C\C=C1/CN2CCC34[C@@H]2C[C@@H]1C(C=O)=C3NC1=C(O)C=CC=C41

InChI Identifier

InChI=1S/C19H20N2O2/c1-2-11-9-21-7-6-19-14-4-3-5-15(23)17(14)20-18(19)13(10-22)12(11)8-16(19)21/h2-5,10,12,16,20,23H,6-9H2,1H3/b11-2+/t12-,16-,19?/m0/s1

InChI Key

JDOFCMASVRMYJU-FKJBLSBJSA-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

Species Name	Source	Reference
Amsonia elliptica	LOTUS Database	35616633
Vinca minor	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as strychnos alkaloids. These are alkaloids having a core structure based on the strychnan, stemmadenine (seco-curan), or the akuammicine (curan) skeleton.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Strychnos alkaloids

Sub Class

Not Available

Direct Parent

Strychnos alkaloids

Alternative Parents

Substituents

Strychnan skeleton
Akuammicine-skeleton
Stemmadenine-skeleton
Carbazole
Indole or derivatives
Dihydroindole
Indolizidine
Aralkylamine
Phenol
Secondary aliphatic/aromatic amine
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Benzenoid
N-alkylpyrrolidine
Piperidine
Vinylogous amide
Pyrrolidine
Tertiary aliphatic amine
Tertiary amine
Organoheterocyclic compound
Enamine
Azacycle
Secondary amine
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen compound
Amine
Aldehyde
Carbonyl group
Organic nitrogen compound
Organic oxygen 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
logP	0.91	ChemAxon
pKa (Strongest Acidic)	9.79	ChemAxon
pKa (Strongest Basic)	8.46	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	52.57 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	92.89 m³·mol⁻¹	ChemAxon
Polarizability	33.54 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

C00026077

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101627612

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Liu HM, Wu B, Zheng QT, Feng XZ: New Indole Alkaloids from Amsonia sinensis. Planta Med. 1991 Dec;57(6):566-8. doi: 10.1055/s-2006-960207. [PubMed:17226203 ]
LOTUS database [Link]

Showing NP-Card for (11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde (NP0320836)

MOL for NP0320836 ((11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

3D MOL for NP0320836 ((11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

3D SDF for NP0320836 ((11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

3D-SDF for NP0320836 ((11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

PDB for NP0320836 ((11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

3D PDB for NP0320836 ((11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

SMILES for NP0320836 ((11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

INCHI for NP0320836 ((11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

Structure for NP0320836 ((11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

3D Structure for NP0320836 ((11s,12z,17s)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)