NP-MRD: Showing NP-Card for 12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol (NP0301094)

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Record Information

Version

2.0

Created at

2022-09-10 13:50:49 UTC

Updated at

2022-09-10 13:50:49 UTC

NP-MRD ID

NP0301094

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol

Description

(R)-Rhazinilam belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings (R)-Rhazinilam is an extremely weak basic (essentially neutral) compound (based on its pKa). 12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol is found in Aspidosperma marcgravianum, Aspidosperma quebracho-blanco, Kopsia arborea, Kopsia singapurensis and Rauvolfia serpentina. Alkaloidal artifact from Aspidosperma quebracho-blanco (quebracho).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 44 47  0  0  0  0  0  0  0  0999 V2000
   -1.4468   -1.7612   -1.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3693   -0.2389   -1.3472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2391    0.0417    0.1473 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5454   -0.5906    0.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5883   -0.5478    2.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4242   -1.2920    2.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2217   -1.2053    1.9626 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791   -1.7525    2.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8480   -1.4397    1.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096   -0.6741    0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0763   -0.5682    0.7723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8221   -0.1231   -0.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4077   -1.0734   -1.6992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0543   -0.7891   -2.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1324    0.5172   -3.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5669    1.4710   -2.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8956    1.2071   -1.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4199    2.2947   -0.5743 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7515    2.7980    0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6386    4.1908    0.5900 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1171    2.0289    1.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3212    1.4751    0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9372   -2.2803   -0.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4854   -2.1167   -1.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9041   -2.0907   -2.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5609    0.0984   -1.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3745    0.1308   -1.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3644    0.0156    0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6449   -1.6322    0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6388    0.4485    2.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5613   -1.0474    2.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833   -0.9988    3.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7431   -2.3723    2.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -2.3310    3.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947   -1.7549    1.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158   -2.1575   -1.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4866   -1.5865   -3.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    0.7189   -4.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6643    2.4975   -2.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3127    4.8106   -0.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4053    2.5980    2.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4805    1.1854    1.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4584    2.1413   -0.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2180    1.7548    1.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 11  3  1  0
 17 12  1  0
 22  3  1  0
 11  7  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  8 34  1  0
  9 35  1  0
 13 36  1  0
 14 37  1  0
 15 38  1  0
 16 39  1  0
 20 40  1  0
 21 41  1  0
 21 42  1  0
 22 43  1  0
 22 44  1  0
M  END


  Mrv0541 05061307072D          

 22 25  0  0  0  0            999 V2000
    0.7244   -0.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5457   -0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2695    1.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6581    1.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8187    1.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4449    1.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2221    0.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7537   -0.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2420    2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3048    0.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1396   -0.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1529    1.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4570    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0090    1.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2435    1.4922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3976    0.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5783   -0.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4593    1.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0234    0.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275   -0.3505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9732    1.9025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346   -1.6438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17  8  1  0  0  0  0
 18 15  2  0  0  0  0
 19  2  1  0  0  0  0
 19 10  1  0  0  0  0
 19 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 12  1  0  0  0  0
 21 13  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0301094

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC12CCCN3C=CC(=C13)C1=CC=CC=C1\N=C(O)/CC2

> <INCHI_IDENTIFIER>
InChI=1S/C19H22N2O/c1-2-19-10-5-12-21-13-9-15(18(19)21)14-6-3-4-7-16(14)20-17(22)8-11-19/h3-4,6-7,9,13H,2,5,8,10-12H2,1H3,(H,20,22)

> <INCHI_KEY>
VLQAFTDOIRUYSZ-UHFFFAOYSA-N

> <FORMULA>
C19H22N2O

> <MOLECULAR_WEIGHT>
294.3908

> <EXACT_MASS>
294.173213336

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
33.35090521197578

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(8E)-12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol

> <ALOGPS_LOGP>
4.05

> <JCHEM_LOGP>
4.562101514666667

> <ALOGPS_LOGS>
-4.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.631157054824041

> <JCHEM_PKA_STRONGEST_BASIC>
0.929401149570713

> <JCHEM_POLAR_SURFACE_AREA>
37.519999999999996

> <JCHEM_REFRACTIVITY>
90.7053

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.70e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(8E)-12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       1.352  -0.112   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.885  -0.256   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.836   3.468   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.562   2.109   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.528   1.980   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.297   3.518   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.748   0.802   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.140  -1.553   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.052   4.325   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.436   0.735   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.994  -0.525   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.152   3.388   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.586   4.799   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.483   2.211   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.055   2.785   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.209   0.853   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.679  -1.605   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.591   2.307   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.777   1.000   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       7.891  -0.654   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0       3.683   3.551   0.000  0.00  0.00           N+0
HETATM   22  O   UNK     0       7.158  -3.068   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1   19                                                       
CONECT    3    4    6                                                       
CONECT    4    3    7                                                       
CONECT    5   10   12                                                       
CONECT    6    3   14                                                       
CONECT    7    4   16                                                       
CONECT    8   11   17                                                       
CONECT    9   13   15                                                       
CONECT   10    5   19                                                       
CONECT   11    8   19                                                       
CONECT   12    5   21                                                       
CONECT   13    9   21                                                       
CONECT   14    6   15   16                                                  
CONECT   15    9   14   18                                                  
CONECT   16    7   14   20                                                  
CONECT   17    8   20   22                                                  
CONECT   18   15   19   21                                                  
CONECT   19    2   10   11   18                                             
CONECT   20   16   17                                                       
CONECT   21   12   13   18                                                  
CONECT   22   17                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   50    0
END

View in JSmol

Synonyms

Value	Source
(-)-Rhazinilam	HMDB
Rhazinilam	HMDB
Rhazinilam, (8ar,14ar)-(+-)-isomer	HMDB

Chemical Formula

C₁₉H₂₂N₂O

Average Mass

294.3908 Da

Monoisotopic Mass

294.17321 Da

IUPAC Name

(8E)-12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol

Traditional Name

(8E)-12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol

CAS Registry Number

Not Available

SMILES

CCC12CCCN3C=CC(=C13)C1=CC=CC=C1\N=C(O)/CC2

InChI Identifier

InChI=1S/C19H22N2O/c1-2-19-10-5-12-21-13-9-15(18(19)21)14-6-3-4-7-16(14)20-17(22)8-11-19/h3-4,6-7,9,13H,2,5,8,10-12H2,1H3,(H,20,22)

InChI Key

VLQAFTDOIRUYSZ-UHFFFAOYSA-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
Aspidosperma marcgravianum	LOTUS Database	35616633
Aspidosperma quebracho-blanco	LOTUS Database	35616633
Kopsia arborea	LOTUS Database	35616633
Kopsia singapurensis	LOTUS Database	35616633
Rauvolfia serpentina	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Not Available

Sub Class

Not Available

Direct Parent

Benzenoids

Alternative Parents

Substituents

Benzenoid
Pyrrole
Heteroaromatic compound
Carboxamide group
Lactam
Secondary carboxylic acid amide
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Carbonyl group
Organopnictogen compound
Hydrocarbon derivative
Organic oxide
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	4.05	ALOGPS
logP	4.56	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	7.63	ChemAxon
pKa (Strongest Basic)	0.93	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.52 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	90.71 m³·mol⁻¹	ChemAxon
Polarizability	33.35 Å³	ChemAxon
Number of Rings	4	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

HMDB0033432

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB011470

KNApSAcK ID

C00024595

Chemspider ID

140859

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

160263

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol (NP0301094)

MOL for NP0301094 (12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol)

3D MOL for NP0301094 (12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol)

3D SDF for NP0301094 (12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol)

3D-SDF for NP0301094 (12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol)

PDB for NP0301094 (12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol)

3D PDB for NP0301094 (12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol)

SMILES for NP0301094 (12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol)

INCHI for NP0301094 (12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol)

Structure for NP0301094 (12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol)

3D Structure for NP0301094 (12-ethyl-8,16-diazatetracyclo[10.6.1.0²,⁷.0¹⁶,¹⁹]nonadeca-1(19),2,4,6,8,17-hexaen-9-ol)