NP-MRD: Showing NP-Card for (1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione (NP0217438)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-05 17:47:10 UTC

Updated at

2022-09-05 17:47:10 UTC

NP-MRD ID

NP0217438

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione

Description

14-Deoxyparsonsianine belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. (1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione is found in Parsonsia alboflavescens. Based on a literature review very few articles have been published on 14-Deoxyparsonsianine.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052219472D          

 30 32  0  0  1  0            999 V2000
    4.6080    0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    0.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4485    0.9945    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1915    0.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243    0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7998   -0.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -0.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8492    0.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0495    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218   -0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2444    0.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1902    0.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6302    1.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1025    2.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6982    1.7711    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4978    1.9739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7220    2.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1465    3.3590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5217    2.9707    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2038    3.4348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831    3.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6653    4.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3622    3.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0972    2.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8969    2.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1210    3.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4724    1.9913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482    1.1974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8237    0.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4740    0.9771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  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  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  1  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  3 28  1  0  0  0  0
 28 29  1  6  0  0  0
 15 30  1  0  0  0  0
  9 30  1  0  0  0  0
 30 12  1  1  0  0  0
M  END


  Mrv1652309052219472D          

 30 32  0  0  1  0            999 V2000
    4.6080    0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7871    0.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4485    0.9945    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1915    0.6359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243    0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7998   -0.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   -0.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8492    0.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0495    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5218   -0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2444    0.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1902    0.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6302    1.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1025    2.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6982    1.7711    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4978    1.9739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7220    2.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1465    3.3590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5217    2.9707    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2038    3.4348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1831    3.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6653    4.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3622    3.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0972    2.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8969    2.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1210    3.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4724    1.9913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482    1.1974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8237    0.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4740    0.9771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  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  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  1  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
  3 28  1  0  0  0  0
 28 29  1  6  0  0  0
 15 30  1  0  0  0  0
  9 30  1  0  0  0  0
 30 12  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0217438

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@]1(O)[C@@H](C)OC(=O)C[C@](O)(C(C)C)C(=O)O[C@@H]2CCN3CC=C(COC1=O)[C@H]23

> <INCHI_IDENTIFIER>
InChI=1S/C21H31NO8/c1-5-20(26)13(4)29-16(23)10-21(27,12(2)3)19(25)30-15-7-9-22-8-6-14(17(15)22)11-28-18(20)24/h6,12-13,15,17,26-27H,5,7-11H2,1-4H3/t13-,15-,17-,20+,21+/m1/s1

> <INCHI_KEY>
VSBPZSUMNNCUGO-KBIZWZQZSA-N

> <FORMULA>
C21H31NO8

> <MOLECULAR_WEIGHT>
425.478

> <EXACT_MASS>
425.204966962

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
43.321947021010985

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,4S,8R,9S,19R)-9-ethyl-4,9-dihydroxy-8-methyl-4-(propan-2-yl)-2,7,11-trioxa-16-azatricyclo[11.5.1.0^{16,19}]nonadec-13-ene-3,6,10-trione

> <JCHEM_LOGP>
0.8794741086666662

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.050102601410993

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.331922159585575

> <JCHEM_PKA_STRONGEST_BASIC>
6.922777497128573

> <JCHEM_POLAR_SURFACE_AREA>
122.60000000000001

> <JCHEM_REFRACTIVITY>
105.07060000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,4S,8R,9S,19R)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0^{16,19}]nonadec-13-ene-3,6,10-trione

> <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       8.602   0.297   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.069   0.452   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.437   1.856   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       7.824   1.187   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.019   0.374   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       7.093  -0.729   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       4.526  -0.004   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.452   1.099   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.959   0.721   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.974  -0.463   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.456   0.108   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -0.355   1.645   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -1.176   2.947   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.191   4.131   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.303   3.306   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.796   3.685   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.214   5.167   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.140   6.270   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.707   5.545   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       5.980   6.412   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       4.075   6.950   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.975   8.199   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.543   7.104   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.781   4.442   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.274   4.821   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       7.693   6.303   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       8.348   3.717   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.930   2.235   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.004   1.132   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.885   1.824   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5   28                                             
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   30                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   30                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   30                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21   24                                             
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   19   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27    3   29                                                  
CONECT   29   28                                                            
CONECT   30   15    9   12                                                  
MASTER        0    0    0    0    0    0    0    0   30    0   64    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₃₁NO₈

Average Mass

425.4780 Da

Monoisotopic Mass

425.20497 Da

IUPAC Name

(1R,4S,8R,9S,19R)-9-ethyl-4,9-dihydroxy-8-methyl-4-(propan-2-yl)-2,7,11-trioxa-16-azatricyclo[11.5.1.0^{16,19}]nonadec-13-ene-3,6,10-trione

Traditional Name

(1R,4S,8R,9S,19R)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0^{16,19}]nonadec-13-ene-3,6,10-trione

CAS Registry Number

Not Available

SMILES

CC[C@]1(O)[C@@H](C)OC(=O)C[C@](O)(C(C)C)C(=O)O[C@@H]2CCN3CC=C(COC1=O)[C@H]23

InChI Identifier

InChI=1S/C21H31NO8/c1-5-20(26)13(4)29-16(23)10-21(27,12(2)3)19(25)30-15-7-9-22-8-6-14(17(15)22)11-28-18(20)24/h6,12-13,15,17,26-27H,5,7-11H2,1-4H3/t13-,15-,17-,20+,21+/m1/s1

InChI Key

VSBPZSUMNNCUGO-KBIZWZQZSA-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
Parsonsia alboflavescens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Tricarboxylic acid or derivatives
Pyrrolizine
N-alkylpyrrolidine
Tertiary alcohol
Pyrroline
Pyrrolidine
Tertiary aliphatic amine
Tertiary amine
Lactone
Carboxylic acid ester
Amino acid or derivatives
Oxacycle
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	0.88	ChemAxon
pKa (Strongest Acidic)	11.33	ChemAxon
pKa (Strongest Basic)	6.92	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	122.6 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	105.07 m³·mol⁻¹	ChemAxon
Polarizability	43.32 Å³	ChemAxon
Number of Rings	3	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

15060935

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione (NP0217438)

MOL for NP0217438 ((1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione)

3D MOL for NP0217438 ((1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione)

3D SDF for NP0217438 ((1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione)

3D-SDF for NP0217438 ((1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione)

PDB for NP0217438 ((1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione)

3D PDB for NP0217438 ((1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione)

SMILES for NP0217438 ((1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione)

INCHI for NP0217438 ((1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione)

Structure for NP0217438 ((1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione)

3D Structure for NP0217438 ((1r,4s,8r,9s,19r)-9-ethyl-4,9-dihydroxy-4-isopropyl-8-methyl-2,7,11-trioxa-16-azatricyclo[11.5.1.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione)