NP-MRD: Showing NP-Card for methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate (NP0218838)

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Record Information

Version

2.0

Created at

2022-09-05 19:37:48 UTC

Updated at

2022-09-05 19:37:48 UTC

NP-MRD ID

NP0218838

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate

Description

Methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]Nonadeca-2,4,6,12-tetraene-15-carboxylate belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate is found in Picralima nitida. Based on a literature review very few articles have been published on methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]Nonadeca-2,4,6,12-tetraene-15-carboxylate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052221372D          

 28 32  0  0  0  0            999 V2000
    7.2490    1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4757    1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8401    2.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0828    2.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6969    3.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084    3.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2780    2.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1109    1.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3224    1.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5182    1.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2755    0.9367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2920    1.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5629    0.6989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9908    0.6462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604   -0.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    2.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771    2.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7416    3.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640    3.1391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1699    4.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    3.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5044    3.9014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8445    3.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350    3.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4926    2.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    2.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5692    2.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1116    2.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  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
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6 21  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 16 28  1  0  0  0  0
M  END


  Mrv1652309052221372D          

 28 32  0  0  0  0            999 V2000
    7.2490    1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4757    1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8401    2.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0828    2.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6969    3.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084    3.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2780    2.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1109    1.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3224    1.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5182    1.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2755    0.9367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2920    1.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5629    0.6989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9908    0.6462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604   -0.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    2.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7771    2.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7416    3.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0640    3.1391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1699    4.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    3.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5044    3.9014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8445    3.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0350    3.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4926    2.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    2.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5692    2.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1116    2.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  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
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6 21  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0218838

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC1=CNC2CC1C(CO)(C(=O)OC)C13CC(=O)OC21NC1=CC=CC=C31

> <INCHI_IDENTIFIER>
InChI=1S/C21H24N2O5/c1-3-12-10-22-16-8-14(12)19(11-24,18(26)27-2)20-9-17(25)28-21(16,20)23-15-7-5-4-6-13(15)20/h4-7,10,14,16,22-24H,3,8-9,11H2,1-2H3

> <INCHI_KEY>
JYFYJYBRUAPLAU-UHFFFAOYSA-N

> <FORMULA>
C21H24N2O5

> <MOLECULAR_WEIGHT>
384.432

> <EXACT_MASS>
384.168521881

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
38.89744743369813

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1^{10,14}.0^{1,9}.0^{2,7}]nonadeca-2,4,6,12-tetraene-15-carboxylate

> <JCHEM_LOGP>
1.1560121906666674

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.824723302145507

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.333595712485945

> <JCHEM_PKA_STRONGEST_BASIC>
7.851536472147599

> <JCHEM_POLAR_SURFACE_AREA>
96.89

> <JCHEM_REFRACTIVITY>
101.2856

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1^{10,14}.0^{1,9}.0^{2,7}]nonadeca-2,4,6,12-tetraene-15-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

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      13.531   3.386   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.088   2.849   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.902   3.831   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.355   5.303   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      10.634   6.664   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       9.162   7.117   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.852   5.161   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.540   3.111   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.069   3.564   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.567   3.220   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.114   1.749   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       8.012   2.025   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.651   1.305   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       9.316   1.206   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.259  -0.333   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.348   4.925   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.184   5.093   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.118   5.734   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       3.853   5.860   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       5.917   7.475   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       7.801   6.397   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       6.542   7.283   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       5.310   6.358   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.799   6.655   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.786   5.495   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.285   4.038   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.796   3.741   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.808   4.901   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   21                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10   12   16                                             
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14                                                            
CONECT   16    9   17   21   28                                             
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20    6   16   22                                             
CONECT   22   21   23                                                       
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   23   16                                                  
MASTER        0    0    0    0    0    0    0    0   28    0   64    0
END

View in JSmol

Synonyms

Value	Source
Methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1,.0,.0,]nonadeca-2,4,6,12-tetraene-15-carboxylic acid	Generator

Chemical Formula

C₂₁H₂₄N₂O₅

Average Mass

384.4320 Da

Monoisotopic Mass

384.16852 Da

IUPAC Name

methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1^{10,14}.0^{1,9}.0^{2,7}]nonadeca-2,4,6,12-tetraene-15-carboxylate

Traditional Name

methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1^{10,14}.0^{1,9}.0^{2,7}]nonadeca-2,4,6,12-tetraene-15-carboxylate

CAS Registry Number

Not Available

SMILES

CCC1=CNC2CC1C(CO)(C(=O)OC)C13CC(=O)OC21NC1=CC=CC=C31

InChI Identifier

InChI=1S/C21H24N2O5/c1-3-12-10-22-16-8-14(12)19(11-24,18(26)27-2)20-9-17(25)28-21(16,20)23-15-7-5-4-6-13(15)20/h4-7,10,14,16,22-24H,3,8-9,11H2,1-2H3

InChI Key

JYFYJYBRUAPLAU-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
Picralima nitida	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Carbazoles

Direct Parent

Carbazoles

Alternative Parents

Substituents

Carbazole
Delta amino acid or derivatives
Dihydroindole
Beta-hydroxy acid
Secondary aliphatic/aromatic amine
Aralkylamine
Tetrahydropyridine
Dicarboxylic acid or derivatives
Gamma butyrolactone
Hydroxy acid
Benzenoid
Methyl ester
Tetrahydrofuran
Amino acid or derivatives
Carboxylic acid ester
Lactone
Secondary amine
Azacycle
Carboxylic acid derivative
Oxacycle
Secondary aliphatic amine
Allylamine
Enamine
Organooxygen compound
Organic oxide
Hydrocarbon derivative
Organopnictogen compound
Amine
Alcohol
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Primary alcohol
Organonitrogen 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	1.16	ChemAxon
pKa (Strongest Acidic)	11.33	ChemAxon
pKa (Strongest Basic)	7.85	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	96.89 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	101.29 m³·mol⁻¹	ChemAxon
Polarizability	38.9 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

Not Available

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

163086769

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate (NP0218838)

MOL for NP0218838 (methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate)

3D MOL for NP0218838 (methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate)

3D SDF for NP0218838 (methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate)

3D-SDF for NP0218838 (methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate)

PDB for NP0218838 (methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate)

3D PDB for NP0218838 (methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate)

SMILES for NP0218838 (methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate)

INCHI for NP0218838 (methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate)

Structure for NP0218838 (methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate)

3D Structure for NP0218838 (methyl 13-ethyl-15-(hydroxymethyl)-17-oxo-18-oxa-8,11-diazapentacyclo[7.6.3.1¹⁰,¹⁴.0¹,⁹.0²,⁷]nonadeca-2,4,6,12-tetraene-15-carboxylate)