NP-MRD: Showing NP-Card for (1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde (NP0289861)

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Record Information

Version

2.0

Created at

2022-09-09 20:15:19 UTC

Updated at

2022-09-09 20:15:19 UTC

NP-MRD ID

NP0289861

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde

Description

Norfluorocurarine 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. (1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde is found in Alstonia angustifolia, Rhazya stricta and Strychnos ngouniensis. (1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde was first documented in 2009 (PMID: 19236094). Based on a literature review a small amount of articles have been published on Norfluorocurarine (PMID: 21877712) (PMID: 22611483) (PMID: 22168233).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          2D

 42 46  0  0  0  0  0  0  0  0999 V2000
   -3.3312    4.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9276    3.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0339    2.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5438    2.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3694    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2686    0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3313   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6304   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9294   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9294   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6304    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3313    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0323    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0195   -2.9672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5277   -3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3540   -4.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8458   -4.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4559   -2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5742   -1.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0824   -1.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7075    5.3038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8924    4.2831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7347    6.0837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4178    3.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7931    3.7771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2022    2.9689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3907    1.0037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047   -0.8603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362   -1.6269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1339   -2.6908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2284   -0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9294    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9888    2.8482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2343    2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0585    2.2498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0232   -4.0819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2561   -5.7079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7275   -5.3943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9477   -2.6536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3468   -0.3112    0.0000 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
 19 20  2  0
 20 21  1  0
 21 22  2  0
 13  3  1  0
 22 17  1  0
 15  5  1  0
  9  8  1  0
 22  8  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  4 27  1  0
  4 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
 15 37  1  1
 14 35  1  0
 14 36  1  0
 13 34  1  6
 11 33  1  0
 16 38  1  0
 18 39  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  0
M  END


  Mrv1652309092222152D          

 22 26  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  2  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  2  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
    5.2189    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
  8  7  1  6  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  6  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
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0289861

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C1/CN2CC[C@@]34[C@@H]2C[C@H]1C(C=O)=C3NC1=CC=CC=C41

> <INCHI_IDENTIFIER>
InChI=1S/C19H20N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h2-6,11,13,17,20H,7-10H2,1H3/b12-2+/t13-,17+,19-/m1/s1

> <INCHI_KEY>
VFUITWPFKLGEQA-GGMYTDTPSA-N

> <FORMULA>
C19H20N2O

> <MOLECULAR_WEIGHT>
292.382

> <EXACT_MASS>
292.157563272

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
41.02738332509566

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,11R,12Z,17S)-12-ethylidene-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>
1.3928118609999993

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.178560389977228

> <JCHEM_PKA_STRONGEST_BASIC>
8.822763309009527

> <JCHEM_POLAR_SURFACE_AREA>
32.34

> <JCHEM_REFRACTIVITY>
90.9132

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,11R,12Z,17S)-12-ethylidene-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>
1

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-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  C   UNK     0       9.742   2.348   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.009   3.703   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.469   3.744   0.000  0.00  0.00           C+0
HETATM   22  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   22                                             
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   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   17    8                                                  
MASTER        0    0    0    0    0    0    0    0   22    0   52    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₂₀N₂O

Average Mass

292.3820 Da

Monoisotopic Mass

292.15756 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C\C=C1/CN2CC[C@@]34[C@@H]2C[C@H]1C(C=O)=C3NC1=CC=CC=C41

InChI Identifier

InChI=1S/C19H20N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h2-6,11,13,17,20H,7-10H2,1H3/b12-2+/t13-,17+,19-/m1/s1

InChI Key

VFUITWPFKLGEQA-GGMYTDTPSA-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
Alstonia angustifolia	LOTUS Database	35616633
Rhazya stricta	LOTUS Database	35616633
Strychnos ngouniensis	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
Indolizidine
Dihydroindole
Indole or derivatives
Aralkylamine
Secondary aliphatic/aromatic amine
Benzenoid
N-alkylpyrrolidine
Piperidine
Vinylogous amide
Pyrrolidine
Tertiary aliphatic amine
Tertiary amine
Azacycle
Organoheterocyclic compound
Secondary amine
Enamine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Aldehyde
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

C00025960

Chemspider ID

113617381

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

129317219

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Vanderwal CD: Reactivity and synthesis inspired by the Zincke ring-opening of pyridines. J Org Chem. 2011 Dec 2;76(23):9555-67. doi: 10.1021/jo201625e. Epub 2011 Oct 20. [PubMed:21877712 ]
Pham HV, Martin DB, Vanderwal CD, Houk KN: The Intramolecular Diels-Alder Reaction of Tryptamine-Derived Zincke Aldehydes Is a Stepwise Process. Chem Sci. 2012;2012(3):1650-1655. doi: 10.1039/C2SC01072K. Epub 2012 Feb 2. [PubMed:22611483 ]
Martin DB, Nguyen LQ, Vanderwal CD: Syntheses of strychnine, norfluorocurarine, dehydrodesacetylretuline, and valparicine enabled by intramolecular cycloadditions of Zincke aldehydes. J Org Chem. 2012 Jan 6;77(1):17-46. doi: 10.1021/jo2020246. Epub 2011 Dec 14. [PubMed:22168233 ]
Martin DB, Vanderwal CD: Efficient access to the core of the Strychnos, Aspidosperma and Iboga alkaloids. A short synthesis of norfluorocurarine. J Am Chem Soc. 2009 Mar 18;131(10):3472-3. doi: 10.1021/ja900640v. [PubMed:19236094 ]
LOTUS database [Link]

Showing NP-Card for (1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde (NP0289861)

MOL for NP0289861 ((1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

3D MOL for NP0289861 ((1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

3D SDF for NP0289861 ((1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

3D-SDF for NP0289861 ((1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

PDB for NP0289861 ((1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

3D PDB for NP0289861 ((1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

SMILES for NP0289861 ((1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

INCHI for NP0289861 ((1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

Structure for NP0289861 ((1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)

3D Structure for NP0289861 ((1r,11r,12z,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carbaldehyde)