NP-MRD: Showing NP-Card for 4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol (NP0249020)

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Record Information

Version

2.0

Created at

2022-09-07 11:28:09 UTC

Updated at

2022-09-07 11:28:09 UTC

NP-MRD ID

NP0249020

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol

Description

(±)-Rollipyrrole belongs to the class of organic compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms (±)-Rollipyrrole is a moderately basic compound (based on its pKa). Outside of the human body, (±)-Rollipyrrole has been detected, but not quantified in, alcoholic beverages and fruits. 4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol is found in Annona mucosa. This could make (±)-rollipyrrole a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 42  0  0  0  0  0  0  0  0999 V2000
   -3.0207    1.3401   -1.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4342    0.3226   -1.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7809   -0.3384    0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3193   -1.4208    0.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6544   -2.0120    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4227   -1.9408    1.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7007   -2.9570    2.3608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2995   -1.1380    1.6353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4881   -0.0237    0.6532 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3824   -0.1807   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481    0.1338    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521    0.6275    1.2623 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7683    0.8146    1.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5584    1.2451    2.0647 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1109    0.4071   -0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5053    0.4382   -0.7477 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4013   -0.4493    0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0056    0.0140   -0.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0022   -0.4651   -2.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4078    1.1014    1.4189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4197    2.3294    0.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6171    1.7321   -2.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0861    1.8082   -1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4375   -0.0746   -1.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4176   -1.4130    0.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8350   -1.9827   -0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6906   -3.0617    0.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4347   -1.2174    2.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5681   -0.5490   -1.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7864    0.8275    2.1119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8651    1.4876   -0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4505    0.1412   -1.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8265   -0.9792    0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8049   -1.2358   -0.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2355    0.1012    0.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9808   -0.5361   -2.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4601   -1.4942   -2.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6412    0.1762   -2.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3193    2.7535    0.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2861    3.0285    1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5808    2.6401    0.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 16  1  0
 16 15  1  0
 15 18  2  0
 18 19  1  0
 18 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 11 10  2  0
 10  9  1  0
  9  8  1  0
  8  6  1  0
  6  7  2  0
  6  4  1  0
  4  5  1  0
  4  3  2  0
  3  2  1  0
  2  1  2  3
  9 20  1  1
 20 21  1  0
 13 15  1  0
  3  9  1  0
 17 33  1  0
 17 34  1  0
 17 35  1  0
 16 31  1  0
 16 32  1  0
 19 36  1  0
 19 37  1  0
 19 38  1  0
 12 30  1  0
 10 29  1  0
  8 28  1  0
  5 25  1  0
  5 26  1  0
  5 27  1  0
  2 24  1  0
  1 22  1  0
  1 23  1  0
 21 39  1  0
 21 40  1  0
 21 41  1  0
M  END


  Mrv0541 02241208532D          

 21 22  0  0  0  0            999 V2000
   -1.7820   -0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7820   -0.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9980   -1.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5151   -0.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9980    0.1548    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4491    0.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4491   -1.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2030   -1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7422   -1.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3101   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3225    0.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819   -0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7573   -0.7186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135   -0.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1465    0.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8260    1.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1479    1.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6211    1.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9649   -1.0639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1987   -1.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030   -0.4627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  7  8  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0249020

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC1=C(C)\C(NC1=O)=C\C1(NC(=O)C(C)=C1C=C)OC

> <INCHI_IDENTIFIER>
InChI=1S/C16H20N2O3/c1-6-11-9(3)13(17-15(11)20)8-16(21-5)12(7-2)10(4)14(19)18-16/h7-8H,2,6H2,1,3-5H3,(H,17,20)(H,18,19)/b13-8-

> <INCHI_KEY>
RDWKBPHIFOCLKH-JYRVWZFOSA-N

> <FORMULA>
C16H20N2O3

> <MOLECULAR_WEIGHT>
288.3416

> <EXACT_MASS>
288.147392516

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
31.47194258949761

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
4-ethenyl-5-{[(2Z)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-5-methoxy-3-methyl-2,5-dihydro-1H-pyrrol-2-one

> <ALOGPS_LOGP>
1.63

> <JCHEM_LOGP>
1.3690724290000003

> <ALOGPS_LOGS>
-3.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.514716156243063

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.648328681402516

> <JCHEM_PKA_STRONGEST_BASIC>
1.0478581231670316

> <JCHEM_POLAR_SURFACE_AREA>
67.43

> <JCHEM_REFRACTIVITY>
82.75699999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.71e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-ethenyl-5-{[(2Z)-4-ethyl-3-methyl-5-oxo-1H-pyrrol-2-ylidene]methyl}-5-methoxy-3-methyl-1H-pyrrol-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -3.326  -0.181   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.326  -1.721   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.863  -2.197   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.962  -0.951   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -1.863   0.289   0.000  0.00  0.00           N+0
HETATM    6  O   UNK     0      -4.572   0.728   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -4.572  -2.628   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.979  -2.001   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.385  -3.660   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.579  -0.949   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.469   1.013   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.020  -0.461   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       3.280  -1.341   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       4.505  -0.414   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.007   1.036   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.542   2.243   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.143   3.660   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.893   2.297   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.801  -1.986   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.371  -2.558   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.979  -0.864   0.000  0.00  0.00           O+0
CONECT    1    2    5    6                                                  
CONECT    2    1    3    7                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5   10                                                  
CONECT    5    1    4                                                       
CONECT    6    1                                                            
CONECT    7    2    8                                                       
CONECT    8    7                                                            
CONECT    9    3                                                            
CONECT   10    4   12                                                       
CONECT   11   12   15   16                                                  
CONECT   12   10   11   13   19                                             
CONECT   13   12   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   11   14   18                                                  
CONECT   16   11   17                                                       
CONECT   17   16                                                            
CONECT   18   15                                                            
CONECT   19   12   20                                                       
CONECT   20   19                                                            
CONECT   21   14                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₀N₂O₃

Average Mass

288.3416 Da

Monoisotopic Mass

288.14739 Da

IUPAC Name

4-ethenyl-5-{[(2Z)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-5-methoxy-3-methyl-2,5-dihydro-1H-pyrrol-2-one

Traditional Name

4-ethenyl-5-{[(2Z)-4-ethyl-3-methyl-5-oxo-1H-pyrrol-2-ylidene]methyl}-5-methoxy-3-methyl-1H-pyrrol-2-one

CAS Registry Number

Not Available

SMILES

CCC1=C(C)\C(NC1=O)=C\C1(NC(=O)C(C)=C1C=C)OC

InChI Identifier

InChI=1S/C16H20N2O3/c1-6-11-9(3)13(17-15(11)20)8-16(21-5)12(7-2)10(4)14(19)18-16/h7-8H,2,6H2,1,3-5H3,(H,17,20)(H,18,19)/b13-8-

InChI Key

RDWKBPHIFOCLKH-JYRVWZFOSA-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
Rollinia mucosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrrolines

Sub Class

Not Available

Direct Parent

Pyrrolines

Alternative Parents

Substituents

Pyrroline
Secondary carboxylic acid amide
Lactam
Carboxamide group
Azacycle
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	1.63	ALOGPS
logP	1.37	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	10.65	ChemAxon
pKa (Strongest Basic)	1.05	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	67.43 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	82.76 m³·mol⁻¹	ChemAxon
Polarizability	31.47 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

HMDB0037554

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB016636

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

101133764

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol (NP0249020)

MOL for NP0249020 (4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol)

3D MOL for NP0249020 (4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol)

3D SDF for NP0249020 (4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol)

3D-SDF for NP0249020 (4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol)

PDB for NP0249020 (4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol)

3D PDB for NP0249020 (4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol)

SMILES for NP0249020 (4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol)

INCHI for NP0249020 (4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol)

Structure for NP0249020 (4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol)

3D Structure for NP0249020 (4-ethenyl-5-{[(2z)-4-ethyl-5-hydroxy-3-methylpyrrol-2-ylidene]methyl}-5-methoxy-3-methylpyrrol-2-ol)