NP-MRD: Showing NP-Card for {7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate (NP0232965)

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Record Information

Version

2.0

Created at

2022-09-06 14:23:03 UTC

Updated at

2022-09-06 14:23:03 UTC

NP-MRD ID

NP0232965

Secondary Accession Numbers

None

Natural Product Identification

Common Name

{7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate

Description

{7-[(2-Methylbut-2-enoyl)oxy]-hexahydro-1H-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. {7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate is found in Senecio racemosus. {7-[(2-Methylbut-2-enoyl)oxy]-hexahydro-1H-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241511172D          

 31 32  0  0  0  0            999 V2000
   -1.1092   -3.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543   -2.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047   -3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3444   -1.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146   -1.7070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0937   -1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -2.3201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7966   -3.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6036   -3.2762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2446   -3.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4376   -3.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1827   -2.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4995   -4.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9475   -5.1155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2024   -5.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0094   -6.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6504   -6.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9054   -7.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603   -8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -7.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6900   -7.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  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  1  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
 20 21  1  4  0  0  0
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 27 30  1  0  0  0  0
 14 31  1  0  0  0  0
  8 31  1  0  0  0  0
 11 31  1  0  0  0  0
M  END

     RDKit          3D

 66 67  0  0  0  0  0  0  0  0999 V2000
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    1.6098    0.2489    1.2693 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9602   -1.4609   -0.2033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0859   -1.8732   -0.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1518   -2.3168   -0.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3602   -1.9100   -0.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3532   -1.0775   -0.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2803   -0.3505    0.7065 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6088   -0.9378   -1.1282 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5262    0.0961   -0.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7644    0.2268   -1.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9529   -0.2859    0.8891 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030    1.3430   -0.4301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0577    1.9023    1.6335 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.2670    2.3295    0.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9633   -1.2574   -0.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8654   -3.1957   -2.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0478   -4.0313   -1.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2401   -2.6593    0.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1682   -1.8947   -1.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5122   -0.5476   -1.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
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 21 54  1  0
 31 66  1  1
M  END


  Mrv1533004241511172D          

 31 32  0  0  0  0            999 V2000
   -1.1092   -3.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543   -2.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2076   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3444   -1.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
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M  END
> <DATABASE_ID>
NP0232965

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC=C(C)C(=O)OC1CCN2CCC(COC(=O)C(COC(=O)CC(C)(C)O)=CC)C12

> <INCHI_IDENTIFIER>
InChI=1S/C23H35NO7/c1-6-15(3)21(26)31-18-9-11-24-10-8-17(20(18)24)14-30-22(27)16(7-2)13-29-19(25)12-23(4,5)28/h6-7,17-18,20,28H,8-14H2,1-5H3

> <INCHI_KEY>
IFOJBJYZVQYKHB-UHFFFAOYSA-N

> <FORMULA>
C23H35NO7

> <MOLECULAR_WEIGHT>
437.533

> <EXACT_MASS>
437.241352471

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
47.3177474608356

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
{7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1H-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate

> <ALOGPS_LOGP>
2.50

> <JCHEM_LOGP>
2.5868298989999987

> <ALOGPS_LOGS>
-3.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.129615460061828

> <JCHEM_PKA_STRONGEST_BASIC>
9.020877862885886

> <JCHEM_POLAR_SURFACE_AREA>
102.36999999999999

> <JCHEM_REFRACTIVITY>
116.4041

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.72e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1H-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      -2.071  -6.756   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.595  -5.291   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.088  -4.971   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.942  -6.116   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.388  -3.507   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -0.643  -2.362   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       1.894  -3.186   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.370  -1.722   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.465  -0.476   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.370   0.770   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       3.834   0.294   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       5.299   0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.204  -0.476   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.299  -1.722   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.775  -3.186   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.744  -4.331   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.220  -5.795   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.727  -6.116   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       4.190  -6.940   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.684  -6.620   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.208  -5.155   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.666  -8.405   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       3.635  -9.549   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.111 -11.014   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       5.618 -11.334   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       3.081 -12.158   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.557 -13.623   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.033 -15.087   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.092 -14.099   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       5.021 -13.147   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       3.834  -1.246   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   31                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   31                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   31                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   29   30                                             
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   27                                                            
CONECT   31   14    8   11                                                  
MASTER        0    0    0    0    0    0    0    0   31    0   64    0
END

View in JSmol

Synonyms

Value	Source
{7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1H-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoic acid	Generator

Chemical Formula

C₂₃H₃₅NO₇

Average Mass

437.5330 Da

Monoisotopic Mass

437.24135 Da

IUPAC Name

{7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1H-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate

Traditional Name

{7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1H-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate

CAS Registry Number

Not Available

SMILES

CC=C(C)C(=O)OC1CCN2CCC(COC(=O)C(COC(=O)CC(C)(C)O)=CC)C12

InChI Identifier

InChI=1S/C23H35NO7/c1-6-15(3)21(26)31-18-9-11-24-10-8-17(20(18)24)14-30-22(27)16(7-2)13-29-19(25)12-23(4,5)28/h6-7,17-18,20,28H,8-14H2,1-5H3

InChI Key

IFOJBJYZVQYKHB-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
Senecio racemosus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Tricarboxylic acid or derivatives
Pyrrolizidine
Fatty acid ester
Fatty acyl
N-alkylpyrrolidine
Pyrrolidine
Tertiary alcohol
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Amino acid or derivatives
Carboxylic acid ester
Tertiary amine
Tertiary aliphatic amine
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Organic nitrogen 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	2.5	ALOGPS
logP	2.59	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	15.13	ChemAxon
pKa (Strongest Basic)	9.02	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	102.37 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	116.4 m³·mol⁻¹	ChemAxon
Polarizability	47.32 Å³	ChemAxon
Number of Rings	2	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for {7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate (NP0232965)

MOL for NP0232965 ({7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate)

3D MOL for NP0232965 ({7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate)

3D SDF for NP0232965 ({7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate)

3D-SDF for NP0232965 ({7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate)

PDB for NP0232965 ({7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate)

3D PDB for NP0232965 ({7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate)

SMILES for NP0232965 ({7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate)

INCHI for NP0232965 ({7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate)

Structure for NP0232965 ({7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate)

3D Structure for NP0232965 ({7-[(2-methylbut-2-enoyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2-{[(3-hydroxy-3-methylbutanoyl)oxy]methyl}but-2-enoate)