NP-MRD: Showing NP-Card for (3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one (NP0141723)

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Record Information

Version

2.0

Created at

2022-09-01 20:06:03 UTC

Updated at

2022-09-01 20:06:04 UTC

NP-MRD ID

NP0141723

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one

Description

Neoclausenamide belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. (3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one is found in Clausena lansium. (3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one was first documented in 2006 (PMID: 16867254). Based on a literature review a small amount of articles have been published on Neoclausenamide (PMID: 31328524) (PMID: 19503939).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 41 43  0  0  0  0  0  0  0  0999 V2000
    0.1504   -3.9055    0.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931   -2.6940   -0.0022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8967   -2.6918   -0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5973   -3.7111   -0.8537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3664   -1.3129   -0.7108 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9186   -1.1868   -1.9842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -0.4901   -0.5992 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4631    0.7804    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4191    1.9291   -0.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7551    3.1635   -0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1550    3.2877    1.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054    2.1484    1.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8644    0.9073    1.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1288   -1.3093    0.2007 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2530   -1.2399   -0.3526 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2417   -1.5481   -1.7084 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9954   -0.0034   -0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8645    1.1218   -0.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5687    2.2965   -0.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4181    2.3521    0.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5457    1.2228    1.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8493    0.0651    1.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6567   -4.2448   -0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5876   -4.7005    0.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8159   -3.7756    1.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1124   -1.0271    0.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2011   -1.3388   -2.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7368   -0.3081   -1.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1086    1.9008   -1.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7071    4.0470   -0.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4131    4.2674    1.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5259    2.2764    2.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9152    0.0349    1.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.1174    1.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8519   -2.0964    0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9387   -1.0764   -2.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2012    1.0818   -1.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.1736   -1.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9523    3.2800    0.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2127    1.2732    2.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9545   -0.8319    1.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 14  7  1  0
  7  5  1  0
  5  6  1  0
  5  3  1  0
  3  4  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  3  2  1  0
 13  8  1  0
 22 17  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
 14 34  1  1
 15 35  1  1
 16 36  1  0
 18 37  1  0
 19 38  1  0
 20 39  1  0
 21 40  1  0
 22 41  1  0
  7 28  1  6
  5 26  1  1
  6 27  1  0
  9 29  1  0
 10 30  1  0
 11 31  1  0
 12 32  1  0
 13 33  1  0
M  END


  Mrv1652309012222062D          

 22 24  0  0  1  0            999 V2000
    2.0367   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -1.2991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -2.5687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9341   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -2.5687    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1393   -3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4748   -3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1694   -4.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661   -3.8173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3188   -3.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -1.7840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5846   -1.5291    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0284   -2.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4131   -0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3715   -0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5430    0.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0701    0.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547    0.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262   -0.1701    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
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  7 14  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  1  0  0  0
 15 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
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0141723

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1[C@@H]([C@@H](O)C2=CC=CC=C2)[C@@H]([C@@H](O)C1=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H19NO3/c1-19-15(16(20)13-10-6-3-7-11-13)14(17(21)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3/t14-,15+,16-,17+/m0/s1

> <INCHI_KEY>
WGYGSZOQGYRGIP-VVLHAWIVSA-N

> <FORMULA>
C18H19NO3

> <MOLECULAR_WEIGHT>
297.354

> <EXACT_MASS>
297.136493476

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
31.62661466042946

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3R,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one

> <ALOGPS_LOGP>
1.67

> <JCHEM_LOGP>
1.4672396179999998

> <ALOGPS_LOGS>
-2.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.87243267561918

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.744330410821018

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3111373026362703

> <JCHEM_POLAR_SURFACE_AREA>
60.77000000000001

> <JCHEM_REFRACTIVITY>
83.35990000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.93e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3R,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 01-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-SEP-22         0                                  
HETATM    1  C   UNK     0       3.802  -0.885   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       3.802  -2.425   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       5.048  -3.330   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       6.512  -2.854   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.572  -4.795   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.477  -6.041   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       3.032  -4.795   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.127  -6.041   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.753  -7.448   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.848  -8.693   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.316  -8.532   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.310  -7.126   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.595  -5.880   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.556  -3.330   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.091  -2.854   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.053  -3.885   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.771  -1.348   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.693  -0.872   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.014   0.634   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.131   1.665   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.595   1.189   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.916  -0.317   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   14                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   14                                                  
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    8                                                       
CONECT   14    7    2   15                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   17                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
Clausenamide	MeSH
Zetaclausenamide	MeSH

Chemical Formula

C₁₈H₁₉NO₃

Average Mass

297.3540 Da

Monoisotopic Mass

297.13649 Da

IUPAC Name

(3R,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one

Traditional Name

(3R,4S,5R)-3-hydroxy-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one

CAS Registry Number

Not Available

SMILES

CN1[C@@H]([C@@H](O)C2=CC=CC=C2)[C@@H]([C@@H](O)C1=O)C1=CC=CC=C1

InChI Identifier

InChI=1S/C18H19NO3/c1-19-15(16(20)13-10-6-3-7-11-13)14(17(21)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3/t14-,15+,16-,17+/m0/s1

InChI Key

WGYGSZOQGYRGIP-VVLHAWIVSA-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
Clausena lansium	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrrolidines

Sub Class

Phenylpyrrolidines

Direct Parent

Phenylpyrrolidines

Alternative Parents

Substituents

3-phenylpyrrolidine
Monocyclic benzene moiety
Pyrrolidone
2-pyrrolidone
N-alkylpyrrolidine
Benzenoid
Tertiary carboxylic acid amide
Pyrrole
Carboxamide group
Secondary alcohol
Lactam
Azacycle
Carboxylic acid derivative
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Alcohol
Aromatic alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxide
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	1.67	ALOGPS
logP	1.47	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	12.74	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	60.77 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	83.36 m³·mol⁻¹	ChemAxon
Polarizability	31.63 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

C00056876

Chemspider ID

8325027

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10149519

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Hu Z, Zhu Y, Fu Z, Huang W: Asymmetric Synthesis of Enantioenriched 6-Hydroxyl Butyrolactams Promoted by N-Heterocyclic Carbene. J Org Chem. 2019 Aug 16;84(16):10328-10337. doi: 10.1021/acs.joc.9b01490. Epub 2019 Aug 1. [PubMed:31328524 ]
Yang L, Wang DX, Zheng QY, Pan J, Huang ZT, Wang MX: Highly efficient and concise synthesis of both antipodes of SB204900, clausenamide, neoclausenamide, homoclausenamide and zeta-clausenamide. Implication of biosynthetic pathways of Clausena alkaloids. Org Biomol Chem. 2009 Jun 21;7(12):2628-34. doi: 10.1039/b901965k. Epub 2009 May 5. [PubMed:19503939 ]
Wu YQ, Liu LD, Wei HL, Liu GT: Different effects of nine clausenamide ennatiomers on liver glutathione biosynthesis and glutathione S-transferase activity in mice. Acta Pharmacol Sin. 2006 Aug;27(8):1024-8. doi: 10.1111/j.1745-7254.2006.00348.x. [PubMed:16867254 ]
LOTUS database [Link]

Showing NP-Card for (3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one (NP0141723)

MOL for NP0141723 ((3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one)

3D MOL for NP0141723 ((3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one)

3D SDF for NP0141723 ((3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one)

3D-SDF for NP0141723 ((3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one)

PDB for NP0141723 ((3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one)

3D PDB for NP0141723 ((3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one)

SMILES for NP0141723 ((3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one)

INCHI for NP0141723 ((3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one)

Structure for NP0141723 ((3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one)

3D Structure for NP0141723 ((3r,4s,5r)-3-hydroxy-5-[(s)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one)