NP-MRD: Showing NP-Card for (1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene (NP0210626)

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Record Information

Version

2.0

Created at

2022-09-05 08:31:49 UTC

Updated at

2022-09-05 08:31:49 UTC

NP-MRD ID

NP0210626

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene

Description

Aspidospermatidine 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,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene is found in Aspidosperma quebracho-blanco. (1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene was first documented in 2019 (PMID: 31453615). Based on a literature review very few articles have been published on Aspidospermatidine.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 46  0  0  0  0  0  0  0  0999 V2000
   -1.9989    3.0238    1.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759    1.8904    1.3801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1734    0.7253    0.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1837    0.4314   -0.2219 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9863   -0.7433    0.3574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1040   -1.8774    0.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9821   -1.5748    1.5644 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299   -2.5971    1.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5925   -2.2451   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -0.7439   -0.0347 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9088   -0.1409    0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0785   -0.5028    0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2004    0.2770    0.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1930    1.4433   -0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0201    1.7908   -0.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8699    1.0195   -0.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5557    1.1803   -1.2560 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0168   -0.1699   -1.2935 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4642   -0.1446   -1.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2628   -0.3803    1.1865 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8731    3.8523    1.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7189    3.3266   -0.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0540    2.6911    1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3088    2.0760    2.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.2498   -0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6700   -1.0899   -0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5775   -0.3928    1.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8519   -2.4491   -0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7553   -2.5919    1.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4277   -3.5861    1.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8244   -2.4330    2.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6306   -2.6508   -0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0578   -2.7026   -0.8465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1280   -1.4170    1.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1168   -0.0138    1.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0910    2.0447   -0.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851    2.7172   -1.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1677    2.0930   -1.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242   -0.7125   -2.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7015    0.5481   -2.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8321   -1.1280   -1.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4064   -0.0930    1.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3 20  1  0
 20  7  1  0
  7  8  1  0
  8  9  1  0
 10  9  1  6
 10 18  1  0
 18 19  1  0
 19  4  1  0
  4  5  1  0
  5  6  1  0
 18 17  1  0
 17 16  1  0
 16 15  2  0
 15 14  1  0
 14 13  2  0
 13 12  1  0
 12 11  2  0
  4  3  1  0
 11 16  1  0
 10 20  1  0
 11 10  1  0
  6  7  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
 20 42  1  1
  8 30  1  0
  8 31  1  0
  9 32  1  0
  9 33  1  0
 18 39  1  6
 19 40  1  0
 19 41  1  0
  4 25  1  6
  5 26  1  0
  5 27  1  0
  6 28  1  0
  6 29  1  0
 17 38  1  0
 15 37  1  0
 14 36  1  0
 13 35  1  0
 12 34  1  0
M  END


  Mrv1652309052210312D          

 20 24  0  0  1  0            999 V2000
    1.5109    1.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3397    0.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6110    0.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2154    0.6031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3747   -0.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1398   -0.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7048   -1.1610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145   -1.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971   -1.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9012   -0.2760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7755   -0.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2079   -1.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0326   -1.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4248   -0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9925    0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1678    0.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5830    0.9660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8236    0.6094    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0192    1.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1194   -0.4826    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 10 18  1  0  0  0  0
 18 19  1  0  0  0  0
  4 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20  3  1  6  0  0  0
  7 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0210626

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C1\[C@H]2N3CC[C@@]22[C@@H](C[C@H]1CC3)NC1=CC=CC=C21

> <INCHI_IDENTIFIER>
InChI=1S/C18H22N2/c1-2-13-12-7-9-20-10-8-18(17(13)20)14-5-3-4-6-15(14)19-16(18)11-12/h2-6,12,16-17,19H,7-11H2,1H3/b13-2+/t12-,16-,17-,18-/m1/s1

> <INCHI_KEY>
DSEPQHRHLTVWHD-HTWFZHFVSA-N

> <FORMULA>
C18H22N2

> <MOLECULAR_WEIGHT>
266.388

> <EXACT_MASS>
266.178298716

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
30.69799591459961

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,9R,11R,17R,18E)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{14,17}]octadeca-2,4,6-triene

> <JCHEM_LOGP>
2.4486308456666657

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.966811341605116

> <JCHEM_POLAR_SURFACE_AREA>
15.27

> <JCHEM_REFRACTIVITY>
84.346

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,9R,11R,17R,18E)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{14,17}]octadeca-2,4,6-triene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       2.820   2.844   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.501   1.071   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.141   0.248   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.402   1.126   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.699  -0.165   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.261  -1.768   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       1.316  -2.167   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       2.640  -3.087   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.915  -2.144   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.549  -0.515   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.181  -0.648   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.988  -1.959   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.527  -1.916   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.260  -0.561   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.453   0.750   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.913   0.707   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       4.822   1.803   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       3.404   1.138   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.903   1.911   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.090  -0.901   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   20                                                  
CONECT    4    3    5   19                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   20                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   18   20                                             
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   11   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   10   19                                                  
CONECT   19   18    4                                                       
CONECT   20   10    3    7                                                  
MASTER        0    0    0    0    0    0    0    0   20    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₂N₂

Average Mass

266.3880 Da

Monoisotopic Mass

266.17830 Da

IUPAC Name

(1R,9R,11R,17R,18E)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{14,17}]octadeca-2,4,6-triene

Traditional Name

(1R,9R,11R,17R,18E)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{14,17}]octadeca-2,4,6-triene

CAS Registry Number

Not Available

SMILES

C\C=C1\[C@H]2N3CC[C@@]22[C@@H](C[C@H]1CC3)NC1=CC=CC=C21

InChI Identifier

InChI=1S/C18H22N2/c1-2-13-12-7-9-20-10-8-18(17(13)20)14-5-3-4-6-15(14)19-16(18)11-12/h2-6,12,16-17,19H,7-11H2,1H3/b13-2+/t12-,16-,17-,18-/m1/s1

InChI Key

DSEPQHRHLTVWHD-HTWFZHFVSA-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 quebracho-blanco	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

Aspidosperma alkaloid
Stemmadenine-skeleton
Carbazole
Indole or derivatives
Dihydroindole
Indolizidine
Aralkylamine
Secondary aliphatic/aromatic amine
Benzenoid
Piperidine
N-alkylpyrrolidine
Pyrrolidine
Tertiary aliphatic amine
Tertiary amine
Organoheterocyclic compound
Azacycle
Secondary amine
Organic nitrogen compound
Organonitrogen compound
Amine
Hydrocarbon derivative
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	2.45	ChemAxon
pKa (Strongest Basic)	9.97	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	15.27 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	84.35 m³·mol⁻¹	ChemAxon
Polarizability	30.7 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

C00055250

Chemspider ID

103883112

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101286225

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Lee WT, Tan BK, Eng SA, Yuen GC, Chan KL, Sim YK, Sulaiman SF, Shu-Chien AC: Black sea cucumber (Holothuria atra Jaeger, 1833) rescues Pseudomonas aeruginosa-infected Caenorhabditis elegans via reduction of pathogen virulence factors and enhancement of host immunity. Food Funct. 2019 Sep 1;10(9):5759-5767. doi: 10.1039/c9fo01357a. Epub 2019 Aug 27. [PubMed:31453615 ]
LOTUS database [Link]

Showing NP-Card for (1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene (NP0210626)

MOL for NP0210626 ((1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene)

3D MOL for NP0210626 ((1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene)

3D SDF for NP0210626 ((1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene)

3D-SDF for NP0210626 ((1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene)

PDB for NP0210626 ((1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene)

3D PDB for NP0210626 ((1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene)

SMILES for NP0210626 ((1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene)

INCHI for NP0210626 ((1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene)

Structure for NP0210626 ((1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene)

3D Structure for NP0210626 ((1r,9r,11r,17r,18e)-18-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-triene)