NP-MRD: Showing NP-Card for (2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate (NP0243764)

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Record Information

Version

2.0

Created at

2022-09-07 04:23:14 UTC

Updated at

2022-09-07 04:23:14 UTC

NP-MRD ID

NP0243764

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate

Description

Aristophyllide A 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. (2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate is found in Aristolochia heterophylla and Aristolochia mollissima. Based on a literature review very few articles have been published on Aristophyllide A.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072206232D          

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 40 41  2  0  0  0  0
M  CHG  2  22   1  24  -1
M  END

     RDKit          3D

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M  CHG  2  22   1  24  -1
M  END


  Mrv1652309072206232D          

 41 45  0  0  1  0            999 V2000
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    0.6769    1.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094    0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4470    0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0090    0.9121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8247    1.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    0.2980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2601   -5.1611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9550   -4.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6875   -5.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9174   -3.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6123   -3.4477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  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
 15 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 21 25  2  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
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 26 33  1  0  0  0  0
 19 33  1  0  0  0  0
 18 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 17 36  1  0  0  0  0
  8 37  1  0  0  0  0
  3 37  1  0  0  0  0
 37 38  1  1  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  CHG  2  22   1  24  -1
M  END
> <DATABASE_ID>
NP0243764

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2C=C(C3=C(C=C4OCOC4=C3C2=CC=C1)C(=O)O[C@@H](C)CC1=CCC[C@](C)(C=C)[C@@H]1C(=C)C=O)[N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H31NO8/c1-6-32(4)12-8-9-20(29(32)18(2)16-34)13-19(3)41-31(35)23-15-26-30(40-17-39-26)28-21-10-7-11-25(38-5)22(21)14-24(27(23)28)33(36)37/h6-7,9-11,14-16,19,29H,1-2,8,12-13,17H2,3-5H3/t19-,29+,32-/m0/s1

> <INCHI_KEY>
XXQZGCCUBVSBKJ-ZUECTMELSA-N

> <FORMULA>
C32H31NO8

> <MOLECULAR_WEIGHT>
557.599

> <EXACT_MASS>
557.204966962

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
57.63837555315829

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-1-[(5R,6R)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-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>
6.284800719666668

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.31942334193442

> <JCHEM_POLAR_SURFACE_AREA>
114.20000000000002

> <JCHEM_REFRACTIVITY>
153.1624

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-1-[(5R,6R)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-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                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      12.008 -12.792   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.481 -12.594   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.889 -11.172   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.392 -10.836   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.592 -12.002   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.224 -11.294   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.154  -9.756   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.451  -8.926   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.381  -7.387   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.014  -6.679   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.717  -7.509   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.944  -5.140   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       5.576  -4.432   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.279  -5.262   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       5.506  -2.894   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.803  -2.064   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.733  -0.525   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.366   0.183   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.068  -0.647   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.139  -2.185   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.841  -3.015   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0       2.912  -4.554   0.000  0.00  0.00           N+1
HETATM   23  O   UNK     0       1.614  -5.384   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       3.602  -5.930   0.000  0.00  0.00           O-1
HETATM   25  C   UNK     0       1.474  -2.307   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.404  -0.768   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.036  -0.060   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.261  -0.890   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -2.628  -0.182   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.034   1.478   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.263   2.308   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.631   1.600   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.701   0.062   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       5.617   1.703   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       7.139   1.933   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       7.829   0.556   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       9.819  -9.634   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      11.116  -8.804   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      12.483  -9.512   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      11.046  -7.266   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      12.343  -6.436   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5   37                                             
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   37                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   36                                                  
CONECT   18   17   19   34                                                  
CONECT   19   18   20   33                                                  
CONECT   20   19   15   21                                                  
CONECT   21   20   22   25                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   21   26                                                       
CONECT   26   25   27   33                                                  
CONECT   27   26   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   26   19                                                  
CONECT   34   18   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   17                                                       
CONECT   37    8    3   38                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₃₁NO₈

Average Mass

557.5990 Da

Monoisotopic Mass

557.20497 Da

IUPAC Name

(2S)-1-[(5R,6R)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-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

CAS Registry Number

Not Available

SMILES

COC1=C2C=C(C3=C(C=C4OCOC4=C3C2=CC=C1)C(=O)O[C@@H](C)CC1=CCC[C@](C)(C=C)[C@@H]1C(=C)C=O)[N+]([O-])=O

InChI Identifier

InChI=1S/C32H31NO8/c1-6-32(4)12-8-9-20(29(32)18(2)16-34)13-19(3)41-31(35)23-15-26-30(40-17-39-26)28-21-10-7-11-25(38-5)22(21)14-24(27(23)28)33(36)37/h6-7,9-11,14-16,19,29H,1-2,8,12-13,17H2,3-5H3/t19-,29+,32-/m0/s1

InChI Key

XXQZGCCUBVSBKJ-ZUECTMELSA-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 heterophylla	LOTUS Database	35616633
Aristolochia mollissima	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
1-naphthalenecarboxylic acid or derivatives
1-nitronaphthalene
2-nitronaphthalene
Monoterpenoid
Aromatic monoterpenoid
Naphthalene
Benzodioxole
Nitroaromatic compound
Anisole
Alkyl aryl ether
Enal
Alpha,beta-unsaturated aldehyde
Organic nitro compound
C-nitro compound
Carboxylic acid ester
Organic oxoazanium
Carboxylic acid derivative
Allyl-type 1,3-dipolar organic compound
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organoheterocyclic compound
Oxacycle
Monocarboxylic acid or derivatives
Ether
Acetal
Organic nitrogen compound
Aldehyde
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organic salt
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic cation
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	6.28	ChemAxon
pKa (Strongest Basic)	-4.3	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	10	ChemAxon
Refractivity	153.16 m³·mol⁻¹	ChemAxon
Polarizability	57.64 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

C00027293

Chemspider ID

9015836

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10840539

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate (NP0243764)

MOL for NP0243764 ((2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

3D MOL for NP0243764 ((2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

3D SDF for NP0243764 ((2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

3D-SDF for NP0243764 ((2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

PDB for NP0243764 ((2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

3D PDB for NP0243764 ((2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

SMILES for NP0243764 ((2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

INCHI for NP0243764 ((2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

Structure for NP0243764 ((2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)

3D Structure for NP0243764 ((2s)-1-[(5r,6r)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohex-1-en-1-yl]propan-2-yl 8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate)