NP-MRD: Showing NP-Card for (3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one (NP0194423)

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Record Information

Version

2.0

Created at

2022-09-04 12:04:38 UTC

Updated at

2022-09-04 12:04:38 UTC

NP-MRD ID

NP0194423

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one

Description

EPIISOPILOTURINE belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1. (3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one was first documented in 2018 (PMID: 29944674). Based on a literature review a small amount of articles have been published on EPIISOPILOTURINE (PMID: 35132947) (PMID: 30711562) (PMID: 30652314) (PMID: 29567541).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 41  0  0  0  0  0  0  0  0999 V2000
    6.0272    0.8022   -1.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9247    0.5063   -0.3338 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8994   -0.2971    0.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588   -0.2499    1.2355 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8721    0.5802    0.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4533    0.9340    0.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5723   -0.0203   -0.0381 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8224   -1.4227    0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2569   -1.3307    1.7873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9221   -0.6261    1.6139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8794   -0.6648    2.4187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8909    0.1641    0.3662 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7137   -0.4448   -0.7461 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4069    0.2410   -1.9216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1596   -0.3774   -0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7842    0.8430   -0.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1399    0.9827   -0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8405   -0.1455   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2142   -1.3574    0.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8597   -1.5018   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7067    1.0594   -0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4414    1.8046   -0.9668 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7973    0.0036   -1.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6384    0.8374   -2.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7533   -0.8673    1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269    1.9923    0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2373    0.8124    1.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6840    0.0616   -1.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2649   -2.1968   -0.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8987   -1.6793    0.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0926    1.2218    0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4427   -1.5042   -0.9237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2225    1.2025   -1.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2531    1.7420   -0.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6305    1.9478   -0.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9069   -0.0706    0.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7597   -2.2625    0.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3728   -2.4765    0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3562    1.7568   -1.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  5 21  2  0
 21  2  1  0
 12  7  1  0
 20 15  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  6 26  1  0
  6 27  1  0
  7 28  1  6
  8 29  1  0
  8 30  1  0
 12 31  1  1
 13 32  1  6
 14 33  1  0
 16 34  1  0
 17 35  1  0
 18 36  1  0
 19 37  1  0
 20 38  1  0
 21 39  1  0
M  END


  Mrv1652309042214042D          

 21 23  0  0  1  0            999 V2000
    3.8062    1.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8062    0.6661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4736    0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2187   -0.6034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937   -0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9088   -1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2443   -2.0245    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0513   -2.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1375   -3.0165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3839   -3.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2123   -4.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8318   -2.7390    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0114   -2.8252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6758   -3.5789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5264   -2.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7060   -2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2210   -1.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5566   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3771   -0.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620   -1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    0.1812    0.0000 C   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  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  2  0  0  0  0
 10 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
  5 21  2  0  0  0  0
  2 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0194423

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1C=NC(C[C@H]2COC(=O)[C@@H]2[C@H](O)C2=CC=CC=C2)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C16H18N2O3/c1-18-8-13(17-10-18)7-12-9-21-16(20)14(12)15(19)11-5-3-2-4-6-11/h2-6,8,10,12,14-15,19H,7,9H2,1H3/t12-,14-,15+/m0/s1

> <INCHI_KEY>
OLLOSKHCXIYWIO-AEGPPILISA-N

> <FORMULA>
C16H18N2O3

> <MOLECULAR_WEIGHT>
286.331

> <EXACT_MASS>
286.131742448

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
29.81293988381923

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3S,4R)-3-[(S)-hydroxy(phenyl)methyl]-4-[(1-methyl-1H-imidazol-4-yl)methyl]oxolan-2-one

> <JCHEM_LOGP>
1.1184740829999997

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.954276737259075

> <JCHEM_PKA_STRONGEST_BASIC>
6.4187460886326555

> <JCHEM_POLAR_SURFACE_AREA>
64.35000000000001

> <JCHEM_REFRACTIVITY>
77.53540000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(3S,4R)-3-[(S)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       7.105   2.783   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       7.105   1.243   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       8.351   0.338   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       7.875  -1.126   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       6.335  -1.126   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.430  -2.372   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.056  -3.779   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.562  -4.099   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.723  -5.631   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.317  -6.257   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.996  -7.764   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       5.286  -5.113   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.755  -5.274   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.128  -6.681   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.849  -4.028   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.318  -4.189   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.413  -2.943   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.039  -1.536   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.571  -1.375   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.476  -2.621   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.859   0.338   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   21                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    7   13                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   15                                                       
CONECT   21    5    2                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₁₈N₂O₃

Average Mass

286.3310 Da

Monoisotopic Mass

286.13174 Da

IUPAC Name

(3S,4R)-3-[(S)-hydroxy(phenyl)methyl]-4-[(1-methyl-1H-imidazol-4-yl)methyl]oxolan-2-one

Traditional Name

(3S,4R)-3-[(S)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one

CAS Registry Number

Not Available

SMILES

CN1C=NC(C[C@H]2COC(=O)[C@@H]2[C@H](O)C2=CC=CC=C2)=C1

InChI Identifier

InChI=1S/C16H18N2O3/c1-18-8-13(17-10-18)7-12-9-21-16(20)14(12)15(19)11-5-3-2-4-6-11/h2-6,8,10,12,14-15,19H,7,9H2,1H3/t12-,14-,15+/m0/s1

InChI Key

OLLOSKHCXIYWIO-AEGPPILISA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Azoles

Sub Class

Imidazoles

Direct Parent

N-substituted imidazoles

Alternative Parents

Substituents

Monocyclic benzene moiety
Gamma butyrolactone
N-substituted imidazole
Benzenoid
Tetrahydrofuran
Heteroaromatic compound
Carboxylic acid ester
Lactone
Secondary alcohol
Oxacycle
Azacycle
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organonitrogen compound
Organopnictogen compound
Organooxygen compound
Alcohol
Organic oxygen compound
Aromatic alcohol
Organic oxide
Carbonyl group
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic 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	1.12	ChemAxon
pKa (Strongest Acidic)	13.95	ChemAxon
pKa (Strongest Basic)	6.42	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	64.35 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	77.54 m³·mol⁻¹	ChemAxon
Polarizability	29.81 Å³	ChemAxon
Number of Rings	3	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

136812

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

155306

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

de Sa ERA, Souza JL, Costa RKM, Barros RO, de Lima CEB, Lima FDCA, Ramos RM: Computational investigation of the alkaloids of Pilocarpus microphyllus species as phytopharmaceuticals for the inhibition of sterol 14alpha-demethylase protease of Trypanosoma cruzi. J Biomol Struct Dyn. 2022 Feb 8:1-19. doi: 10.1080/07391102.2022.2035819. [PubMed:35132947 ]
Rocha JA, Rego NCS, Carvalho BTS, Silva FI, Sousa JA, Ramos RM, Passos ING, de Moraes J, Leite JRSA, Lima FCA: Computational quantum chemistry, molecular docking, and ADMET predictions of imidazole alkaloids of Pilocarpus microphyllus with schistosomicidal properties. PLoS One. 2018 Jun 26;13(6):e0198476. doi: 10.1371/journal.pone.0198476. eCollection 2018. [PubMed:29944674 ]
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LOTUS database [Link]

Showing NP-Card for (3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one (NP0194423)

MOL for NP0194423 ((3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one)

3D MOL for NP0194423 ((3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one)

3D SDF for NP0194423 ((3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one)

3D-SDF for NP0194423 ((3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one)

PDB for NP0194423 ((3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one)

3D PDB for NP0194423 ((3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one)

SMILES for NP0194423 ((3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one)

INCHI for NP0194423 ((3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one)

Structure for NP0194423 ((3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one)

3D Structure for NP0194423 ((3s,4r)-3-[(s)-hydroxy(phenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one)