NP-MRD: Showing NP-Card for (2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid (NP0269562)

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Record Information

Version

2.0

Created at

2022-09-08 15:06:06 UTC

Updated at

2022-09-08 15:06:06 UTC

NP-MRD ID

NP0269562

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid

Description

Corcovadine belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. (2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid is found in Piper corcovadense and Piper scutifolium. (2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid was first documented in 2007 (PMID: 18031016). Based on a literature review very few articles have been published on corcovadine.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
    6.6248   -1.8485    0.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0064   -0.5110    0.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7029    0.4957    0.7516 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6742   -0.3388    0.2392 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0551    0.9143    0.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1199    1.6922    1.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5926    1.7475   -0.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    0.6251   -0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3827   -0.0625   -1.3119 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5224   -0.5818   -2.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9998   -1.1793   -3.2235 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0989   -0.7036   -1.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5197   -0.2192   -0.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9585   -0.3587   -0.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5902    0.1264    0.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0308    0.0181    0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5715    0.5685    1.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9199    0.5142    2.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7320   -0.1223    1.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2063   -0.6715   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8531   -0.5965   -0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2423   -1.2507   -0.7858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4529   -0.7333   -0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1051   -0.3560    1.0703 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -2.1981   -0.3978 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9145   -2.6075    1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5339   -1.8349    1.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9267    2.4567    1.4468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1700    2.2557    1.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2242    0.9870    2.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5305    2.8315   -0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6748    1.5194   -1.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0706    1.5285   -1.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2346   -0.0254    0.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9932    1.5809    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2655   -2.1573   -3.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5298   -1.2154   -2.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0460    0.2869   -0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4955   -0.8682   -1.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9723    0.6322    1.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9409    1.0676    2.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3452    0.9472    2.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4868   -1.0417   -1.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7337    0.2021   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2148   -1.5158   -0.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 24  1  0
 24 23  1  0
 23 22  1  0
 22 20  1  0
 20 21  2  0
 21 16  1  0
 20 19  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  6 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
  7 33  1  0
  8 34  1  0
  8 35  1  0
 11 36  1  0
 12 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 17 41  1  0
 18 42  1  0
 23 44  1  0
 23 45  1  0
 21 43  1  0
M  END


  Mrv1652309082217062D          

 24 25  0  0  0  0            999 V2000
   11.2115    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4970    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4970    2.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7825    1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0681    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4806    2.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6556    1.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3536    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6391    1.9354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246    3.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    2.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9  8  1  4  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0269562

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC(C)(C)CN=C(O)\C=C\C=C\C1=CC=C2OCOC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H21NO5/c1-13(20)24-18(2,3)11-19-17(21)7-5-4-6-14-8-9-15-16(10-14)23-12-22-15/h4-10H,11-12H2,1-3H3,(H,19,21)/b6-4+,7-5+

> <INCHI_KEY>
QGDBWUXDIODTEX-YDFGWWAZSA-N

> <FORMULA>
C18H21NO5

> <MOLECULAR_WEIGHT>
331.368

> <EXACT_MASS>
331.14197278

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
36.146388096400784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E,4E)-N-[2-(acetyloxy)-2-methylpropyl]-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid

> <JCHEM_LOGP>
2.971048071333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.011446082429689

> <JCHEM_PKA_STRONGEST_BASIC>
3.869029511140943

> <JCHEM_POLAR_SURFACE_AREA>
77.35000000000001

> <JCHEM_REFRACTIVITY>
90.88680000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2E,4E)-N-[2-(acetyloxy)-2-methylpropyl]-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      20.928   2.843   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      19.594   3.613   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      19.594   5.153   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      18.261   2.843   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      16.927   3.613   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      17.697   4.947   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.157   2.279   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      15.593   4.383   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      14.260   3.613   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      12.926   4.383   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      12.926   5.923   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      11.592   3.613   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.259   4.383   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.925   3.613   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.591   4.383   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.258   3.613   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.258   2.073   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.924   1.303   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.590   2.073   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.590   3.613   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.924   4.383   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.126   4.089   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.220   2.843   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.126   1.597   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    7    8                                             
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    5    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20   16                                                       
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   19                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₁NO₅

Average Mass

331.3680 Da

Monoisotopic Mass

331.14197 Da

IUPAC Name

(2E,4E)-N-[2-(acetyloxy)-2-methylpropyl]-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid

Traditional Name

(2E,4E)-N-[2-(acetyloxy)-2-methylpropyl]-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid

CAS Registry Number

Not Available

SMILES

CC(=O)OC(C)(C)CN=C(O)\C=C\C=C\C1=CC=C2OCOC2=C1

InChI Identifier

InChI=1S/C18H21NO5/c1-13(20)24-18(2,3)11-19-17(21)7-5-4-6-14-8-9-15-16(10-14)23-12-22-15/h4-10H,11-12H2,1-3H3,(H,19,21)/b6-4+,7-5+

InChI Key

QGDBWUXDIODTEX-YDFGWWAZSA-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
Piper corcovadense	LOTUS Database	35616633
Piper scutifolium	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzodioxoles

Sub Class

Not Available

Direct Parent

Benzodioxoles

Alternative Parents

Substituents

Benzodioxole
Styrene
Benzenoid
N-acyl-amine
Carboxamide group
Carboxylic acid ester
Secondary carboxylic acid amide
Acetal
Carboxylic acid derivative
Oxacycle
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Carbonyl group
Organic oxygen 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	2.97	ChemAxon
pKa (Strongest Acidic)	6.01	ChemAxon
pKa (Strongest Basic)	3.87	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	77.35 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	90.89 m³·mol⁻¹	ChemAxon
Polarizability	36.15 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

23311287

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44445528

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Marques JV, Kitamura RO, Lago JH, Young MC, Guimaraes EF, Kato MJ: Antifungal amides from Piper scutifolium and Piper hoffmanseggianum. J Nat Prod. 2007 Dec;70(12):2036-9. doi: 10.1021/np070347g. Epub 2007 Nov 22. [PubMed:18031016 ]
LOTUS database [Link]

Showing NP-Card for (2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid (NP0269562)

MOL for NP0269562 ((2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid)

3D MOL for NP0269562 ((2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid)

3D SDF for NP0269562 ((2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid)

3D-SDF for NP0269562 ((2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid)

PDB for NP0269562 ((2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid)

3D PDB for NP0269562 ((2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid)

SMILES for NP0269562 ((2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid)

INCHI for NP0269562 ((2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid)

Structure for NP0269562 ((2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid)

3D Structure for NP0269562 ((2e,4e)-n-[2-(acetyloxy)-2-methylpropyl]-5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienimidic acid)