NP-MRD: Showing NP-Card for 19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene (NP0191878)

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Record Information

Version

2.0

Created at

2022-09-04 08:58:13 UTC

Updated at

2022-09-04 08:58:13 UTC

NP-MRD ID

NP0191878

Secondary Accession Numbers

None

Natural Product Identification

Common Name

19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene

Description

(+)-Erythraline belongs to the class of organic compounds known as erythrinanes. These are erythrina alkaloids possessing either a 6-5-6-6-membered indoloisoquinoline core or a derivative thereof (+)-Erythraline is a very strong basic compound (based on its pKa). Outside of the human body, (+)-erythraline has been detected, but not quantified in, green vegetables. 19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene is found in Erythrina bidwillii, Erythrina crista-galli, Erythrina latissima, Erythrina suberosa, Erythrina variegata, Erythrina velutina and Erythrina vespertilio. This could make (+)-erythraline a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 45  0  0  0  0  0  0  0  0999 V2000
   -4.3662    1.4303   -1.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5296    0.6728   -0.6406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3763    1.4084   -0.3480 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3323    1.6217    1.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8157    0.6643    1.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3085   -0.5669    1.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200   -1.8416    1.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6702   -2.6515    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -1.7110   -0.7110 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0393   -2.0079   -1.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4749   -2.0931   -1.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263   -0.9607   -0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1807   -0.7081   -0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5681    0.3436    0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6168    1.1356    1.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2813    0.8578    0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8520   -0.1898    0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6219   -0.4120   -0.1220 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2338    0.6533   -0.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3063    2.0929    1.7797 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6583    2.0760    1.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    0.7849    0.7892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6732    2.3784   -0.9221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2357    0.8440   -1.7784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8091    1.7333   -2.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5038    2.4040   -0.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7156    2.5449    1.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7555    0.7346    2.9212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7433   -2.2566    2.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3594   -2.9009    0.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900   -3.5251    0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0442   -1.2763   -2.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2674   -2.9933   -2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7474   -3.0307   -0.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0697   -2.1154   -2.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8980   -1.3623   -0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5237    1.4876    1.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4377    1.4225   -1.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5321    0.2854   -1.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8284    2.8870    0.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3686    2.1400    2.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3 19  1  0
 18 19  1  6
 18  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  2  0
  6  5  1  0
  5  4  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 17  2  0
 17 16  1  0
 16 15  2  0
 15 20  1  0
 20 21  1  0
 21 22  1  0
 22 14  1  0
 14 13  2  0
  4  3  1  0
 13 12  1  0
  6 18  1  0
 14 15  1  0
 17 18  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  6
 19 38  1  0
 19 39  1  0
  8 30  1  0
  8 31  1  0
  7 29  1  0
  5 28  1  0
  4 27  1  0
 10 32  1  0
 10 33  1  0
 11 34  1  0
 11 35  1  0
 16 37  1  0
 21 40  1  0
 21 41  1  0
 13 36  1  0
M  END


  Mrv0541 02241214272D          

 22 26  0  0  0  0            999 V2000
   -0.4946    1.6497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3196    1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4946   -1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2371   -1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9796   -1.4846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4747   -0.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9796   -0.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2371   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4946   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471   -1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9071   -1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497   -1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497   -0.4121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747   -0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4747    0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9071   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497    0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497    1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9071    1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471    1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471    0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  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  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0191878

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1CC23N(CC=C2C=C1)CCC1=C3C=C2OCOC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H19NO3/c1-20-14-3-2-13-5-7-19-6-4-12-8-16-17(22-11-21-16)9-15(12)18(13,19)10-14/h2-3,5,8-9,14H,4,6-7,10-11H2,1H3

> <INCHI_KEY>
TVOFUERNMZTYRM-UHFFFAOYSA-N

> <FORMULA>
C18H19NO3

> <MOLECULAR_WEIGHT>
297.3484

> <EXACT_MASS>
297.136493479

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
32.08138552590208

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2(10),3,8,15,17-pentaene

> <ALOGPS_LOGP>
2.01

> <JCHEM_LOGP>
1.998125228333333

> <ALOGPS_LOGS>
-2.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
9.00959782993135

> <JCHEM_POLAR_SURFACE_AREA>
30.93

> <JCHEM_REFRACTIVITY>
85.27970000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.05e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2(10),3,8,15,17-pentaene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      -0.923   3.079   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.463   3.079   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.923  -3.079   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.309  -2.309   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -3.695  -2.771   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -4.619  -1.539   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -3.695  -0.307   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -2.309  -0.769   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.923  -0.001   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.461  -0.769   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.461  -2.309   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.693  -3.079   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.079  -2.309   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       3.079  -0.769   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       4.619  -0.769   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.619   0.769   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.693  -0.001   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.079   0.769   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.079   2.309   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.693   3.079   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.461   2.309   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.461   0.769   0.000  0.00  0.00           C+0
CONECT    1    2   21                                                       
CONECT    2    1                                                            
CONECT    3    4   11                                                       
CONECT    4    3    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    4    7    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   17                                                  
CONECT   11    3   10   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15   18                                                       
CONECT   17   10   14   18   22                                             
CONECT   18   16   17   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21    1   20   22                                                  
CONECT   22   17   21                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   52    0
END

View in JSmol

Synonyms

Value	Source
Erythraline	HMDB

Chemical Formula

C₁₈H₁₉NO₃

Average Mass

297.3484 Da

Monoisotopic Mass

297.13649 Da

IUPAC Name

19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2(10),3,8,15,17-pentaene

Traditional Name

19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2(10),3,8,15,17-pentaene

CAS Registry Number

Not Available

SMILES

COC1CC23N(CC=C2C=C1)CCC1=C3C=C2OCOC2=C1

InChI Identifier

InChI=1S/C18H19NO3/c1-20-14-3-2-13-5-7-19-6-4-12-8-16-17(22-11-21-16)9-15(12)18(13,19)10-14/h2-3,5,8-9,14H,4,6-7,10-11H2,1H3

InChI Key

TVOFUERNMZTYRM-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
Erythrina bidwillii	LOTUS Database	35616633
Erythrina crista-galli	LOTUS Database	35616633
Erythrina latissima	LOTUS Database	35616633
Erythrina suberosa	LOTUS Database	35616633
Erythrina variegata	LOTUS Database	35616633
Erythrina velutina	LOTUS Database	35616633
Erythrina vespertilio	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as erythrinanes. These are erythrina alkaloids possessing either a 6-5-6-6-membered indoloisoquinoline core or a derivative thereof.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Erythrina alkaloids

Sub Class

Erythrinanes

Direct Parent

Erythrinanes

Alternative Parents

Not Available

Substituents

Not Available

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	2.01	ALOGPS
logP	2	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Basic)	9.01	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	30.93 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	85.28 m³·mol⁻¹	ChemAxon
Polarizability	32.08 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

HMDB0030258

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB002082

KNApSAcK ID

C00027355

Chemspider ID

26504826

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12308897

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene (NP0191878)

MOL for NP0191878 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene)

3D MOL for NP0191878 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene)

3D SDF for NP0191878 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene)

3D-SDF for NP0191878 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene)

PDB for NP0191878 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene)

3D PDB for NP0191878 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene)

SMILES for NP0191878 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene)

INCHI for NP0191878 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene)

Structure for NP0191878 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene)

3D Structure for NP0191878 (19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,15,17-pentaene)