NP-MRD: Showing NP-Card for (1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate (NP0328661)

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Record Information

Version

2.0

Created at

2022-09-12 12:19:49 UTC

Updated at

2022-09-12 12:19:49 UTC

NP-MRD ID

NP0328661

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

Description

(1R,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-methoxy-9-nitro-14,16-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]Heptadeca-1,3,5,7,9,11,13(17)-heptaene-11-carboxylate belongs to the class of organic compounds known as aristolochic acids and derivatives. These are organic heterocyclic compounds with a structure characterized by a nitrophenanthro[3,4-d][1,3]dioxole ring system substituted at position 5, 6, and 8 by a carboxyl group (or a derivative thereof), a nitro group, and a methoxy group, respectively. (1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate is found in Aristolochia kaempferi. Based on a literature review very few articles have been published on (1R,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-methoxy-9-nitro-14,16-dioxatetracyclo[8.7.0.0²,⁷.0¹³,¹⁷]Heptadeca-1,3,5,7,9,11,13(17)-heptaene-11-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122214192D          

 41 45  0  0  1  0            999 V2000
    0.7355   -0.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6656    1.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7032    2.0269    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.0083    2.4716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358    2.4064    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.3606    0.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1307    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0  0  0  0
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  9 10  2  0  0  0  0
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 14 38  1  0  0  0  0
  7 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 36 41  1  0  0  0  0
M  CHG  2  11   1  13  -1
M  END

     RDKit          3D

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 20 50  1  0
M  CHG  2  11   1  13  -1
M  END


  Mrv1652309122214192D          

 41 45  0  0  1  0            999 V2000
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    9.3755    0.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6429    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    1.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2155    0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1779   -0.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5205    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7880    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7504   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0179   -0.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3229   -0.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1524   -1.3246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9681   -1.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3377   -0.7105    0.0000 O   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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  3  8  2  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  2  0  0  0  0
 11 13  1  0  0  0  0
 10 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
 16 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  4  0  0  0
 22 23  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 19 34  1  0  0  0  0
 15 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 14 38  1  0  0  0  0
  7 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 36 41  1  0  0  0  0
M  CHG  2  11   1  13  -1
M  END
> <DATABASE_ID>
NP0328661

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2C=C(C3=C(C=C4OCOC4=C3C2=CC=C1)C(=O)O[C@@H]1C\C(C)=C\CC\C(C)=C\CCC(C=O)=C1)[N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H31NO8/c1-19-7-4-9-20(2)13-22(14-21(17-34)10-5-8-19)41-32(35)25-16-28-31(40-18-39-28)30-23-11-6-12-27(38-3)24(23)15-26(29(25)30)33(36)37/h6,8-9,11-12,14-17,22H,4-5,7,10,13,18H2,1-3H3/b19-8+,20-9+,21-14?/t22-/m1/s1

> <INCHI_KEY>
CNCKKGCRDGSHDH-IRYBQWGFSA-N

> <FORMULA>
C32H31NO8

> <MOLECULAR_WEIGHT>
557.599

> <EXACT_MASS>
557.204966962

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
58.9643245944601

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-methoxy-9-nitro-14,16-dioxatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8,10,12-heptaene-11-carboxylate

> <JCHEM_LOGP>
6.661207858000001

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.4613643788782955

> <JCHEM_POLAR_SURFACE_AREA>
114.20000000000002

> <JCHEM_REFRACTIVITY>
154.9881

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-methoxy-9-nitro-14,16-dioxatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8,10,12-heptaene-11-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       1.373  -0.588   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       2.740   0.120   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       4.038  -0.710   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.967  -2.248   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.265  -3.078   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.632  -2.370   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.702  -0.832   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.405  -0.002   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.475   1.537   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.843   2.245   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       6.913   3.784   0.000  0.00  0.00           N+1
HETATM   12  O   UNK     0       5.616   4.614   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       8.280   4.492   0.000  0.00  0.00           O-1
HETATM   14  C   UNK     0       8.140   1.415   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.507   2.124   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.577   3.662   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       9.016   5.096   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      10.945   4.370   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      12.242   3.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.609   4.249   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.679   5.787   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.382   6.617   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      12.452   8.156   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      15.047   6.496   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      16.344   5.666   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      16.274   4.127   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      17.571   3.297   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      18.938   4.006   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      17.501   1.759   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      16.133   1.050   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      14.836   1.880   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      13.469   1.172   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.399  -0.366   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      12.172   2.002   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.804   1.294   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.734  -0.245   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.367  -0.953   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       8.069  -0.123   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       9.618  -2.473   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      11.141  -2.703   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      11.830  -1.326   0.000  0.00  0.00           O+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                                                       
CONECT    7    6    8   38                                                  
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   10   15   38                                                  
CONECT   15   14   16   35                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   34                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   21   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   19                                                       
CONECT   35   15   36                                                       
CONECT   36   35   37   41                                                  
CONECT   37   36   38   39                                                  
CONECT   38   37   14    7                                                  
CONECT   39   37   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   36                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END

View in JSmol

Synonyms

Value	Source
(1R,6E,10E)-3-Formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-methoxy-9-nitro-14,16-dioxatetracyclo[8.7.0.0,.0,]heptadeca-1,3,5,7,9,11,13(17)-heptaene-11-carboxylic acid	Generator

Chemical Formula

C₃₂H₃₁NO₈

Average Mass

557.5990 Da

Monoisotopic Mass

557.20497 Da

IUPAC Name

(1R,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-methoxy-9-nitro-14,16-dioxatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8,10,12-heptaene-11-carboxylate

Traditional Name

(1R,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 6-methoxy-9-nitro-14,16-dioxatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,8,10,12-heptaene-11-carboxylate

CAS Registry Number

Not Available

SMILES

COC1=C2C=C(C3=C(C=C4OCOC4=C3C2=CC=C1)C(=O)O[C@@H]1C\C(C)=C\CC\C(C)=C\CCC(C=O)=C1)[N+]([O-])=O

InChI Identifier

InChI=1S/C32H31NO8/c1-19-7-4-9-20(2)13-22(14-21(17-34)10-5-8-19)41-32(35)25-16-28-31(40-18-39-28)30-23-11-6-12-27(38-3)24(23)15-26(29(25)30)33(36)37/h6,8-9,11-12,14-17,22H,4-5,7,10,13,18H2,1-3H3/b19-8+,20-9+,21-14?/t22-/m1/s1

InChI Key

CNCKKGCRDGSHDH-IRYBQWGFSA-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
Aristolochia kaempferi	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aristolochic acids and derivatives. These are organic heterocyclic compounds with a structure characterized by a nitrophenanthro[3,4-d][1,3]dioxole ring system substituted at position 5, 6, and 8 by a carboxyl group (or a derivative thereof), a nitro group, and a methoxy group, respectively.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenanthrenes and derivatives

Sub Class

Aristolochic acids and derivatives

Direct Parent

Aristolochic acids and derivatives

Alternative Parents

Substituents

Aristolochic acid or derivatives
2-nitronaphthalene
1-nitronaphthalene
1-naphthalenecarboxylic acid or derivatives
Naphthalene
Benzodioxole
Nitroaromatic compound
Anisole
Alkyl aryl ether
Organic nitro compound
C-nitro compound
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Allyl-type 1,3-dipolar organic compound
Organic oxoazanium
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aldehyde
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	6.66	ChemAxon
pKa (Strongest Basic)	-4.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	114.2 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	154.99 m³·mol⁻¹	ChemAxon
Polarizability	58.96 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

163186356

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate (NP0328661)

MOL for NP0328661 ((1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

3D MOL for NP0328661 ((1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

3D SDF for NP0328661 ((1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

3D-SDF for NP0328661 ((1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

PDB for NP0328661 ((1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

3D PDB for NP0328661 ((1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

SMILES for NP0328661 ((1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

INCHI for NP0328661 ((1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

Structure for NP0328661 ((1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

3D Structure for NP0328661 ((1r,6e,10e)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)