NP-MRD: Showing NP-Card for (2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde (NP0328642)

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Record Information

Version

2.0

Created at

2022-09-12 12:17:47 UTC

Updated at

2022-09-12 12:17:48 UTC

NP-MRD ID

NP0328642

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde

Description

Salacin belongs to the class of organic compounds known as indolines. Indolines are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. (2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde is found in Uncaria attenuata. (2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde was first documented in 2005 (PMID: 17191985). Based on a literature review a small amount of articles have been published on Salacin (PMID: 29369438) (PMID: 22591976).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 44  0  0  0  0  0  0  0  0999 V2000
    3.1780    2.1976   -0.8608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4907    1.1960    0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    0.0219    0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7383   -0.8559    1.0061 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5511   -0.0079   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6909   -1.2062   -0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1028   -1.4955    0.3426 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8813   -2.7417    0.1760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3728   -4.0530    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -5.0446   -0.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2638   -2.3829    0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2996   -1.2760    1.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0287   -0.4835    0.8646 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4941    0.1262    2.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0535   -0.6340    3.1884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226    1.3975    2.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0421    1.7916    0.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700    3.0224    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7888    3.1641   -1.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1032    2.0415   -1.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8753    0.7952   -1.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584    0.6628    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1530    2.6000   -0.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834    1.7355   -1.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8638    3.0625   -0.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4903    1.7069    1.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5656    0.8937    0.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9936    0.9170   -0.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1735   -0.1038   -1.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0101   -1.1247   -1.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3415   -2.1043   -1.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6073   -1.7724    1.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6951   -4.1919    0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5646   -2.1191   -0.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9286   -3.2294    0.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1772   -1.7078    2.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1946   -0.6302    1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3116   -0.2843    4.1173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0175    3.9043    0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9635    4.1286   -1.5821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5151    2.1232   -2.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433   -0.0396   -1.8883 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
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  1
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
  8  9  1  0
  9 10  2  0
 13  7  1  0
 22 13  1  0
 22 17  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  0
  6 31  1  0
  7 32  1  1
 11 34  1  0
 11 35  1  0
 12 36  1  0
 12 37  1  0
 15 38  1  0
 18 39  1  0
 19 40  1  0
 20 41  1  0
 21 42  1  0
  9 33  1  0
M  END


  Mrv1652309122214172D          

 22 24  0  0  1  0            999 V2000
    0.5362    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2506    2.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9651    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9651    1.5201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6796    2.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3940    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1085    2.7576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1947    3.5780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5816    4.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532    4.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0017    3.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4142    3.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    2.4220    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6159    2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3303    2.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5296    1.2660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7226    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3101    0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4851    0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0726    1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4851    1.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3101    1.8089    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  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 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
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0328642

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(=O)CC[C@@H]1N(CC[C@@]11C(O)=NC2=CC=CC=C12)C=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H20N2O3/c1-2-12(21)7-8-15-17(9-10-19(15)11-20)13-5-3-4-6-14(13)18-16(17)22/h3-6,11,15H,2,7-10H2,1H3,(H,18,22)/t15-,17-/m0/s1

> <INCHI_KEY>
YTWQDQXQXNAHQJ-RDJZCZTQSA-N

> <FORMULA>
C17H20N2O3

> <MOLECULAR_WEIGHT>
300.358

> <EXACT_MASS>
300.147392512

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
31.93204725678554

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2'S,3S)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde

> <JCHEM_LOGP>
2.124731251333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.42744847566403

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.362836837442781

> <JCHEM_PKA_STRONGEST_BASIC>
1.070500021484146

> <JCHEM_POLAR_SURFACE_AREA>
69.97

> <JCHEM_REFRACTIVITY>
84.35330000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2'S,3S)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde

> <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       1.001   4.377   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.334   5.147   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.668   4.377   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.668   2.837   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       5.002   5.147   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.336   4.377   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.669   5.147   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       7.830   6.679   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       6.686   7.709   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       7.006   9.216   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       9.337   6.999   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.107   5.666   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.076   4.521   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.483   3.895   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      11.817   4.665   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0      10.322   2.363   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       8.816   2.043   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.046   0.709   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.506   0.709   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.736   2.043   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.506   3.377   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.046   3.377   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   13                                                  
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    7   14   22                                             
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   17   13                                                  
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₇H₂₀N₂O₃

Average Mass

300.3580 Da

Monoisotopic Mass

300.14739 Da

IUPAC Name

(2'S,3S)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde

Traditional Name

(2'S,3S)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde

CAS Registry Number

Not Available

SMILES

CCC(=O)CC[C@@H]1N(CC[C@@]11C(O)=NC2=CC=CC=C12)C=O

InChI Identifier

InChI=1S/C17H20N2O3/c1-2-12(21)7-8-15-17(9-10-19(15)11-20)13-5-3-4-6-14(13)18-16(17)22/h3-6,11,15H,2,7-10H2,1H3,(H,18,22)/t15-,17-/m0/s1

InChI Key

YTWQDQXQXNAHQJ-RDJZCZTQSA-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
Uncaria attenuata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as indolines. Indolines are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indolines

Direct Parent

Indolines

Alternative Parents

Substituents

Dihydroindole
Benzenoid
Pyrrolidine
Tertiary carboxylic acid amide
Secondary carboxylic acid amide
Lactam
Ketone
Carboxamide group
Azacycle
Carboxylic acid derivative
Organic oxygen compound
Carbonyl group
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
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	2.12	ChemAxon
pKa (Strongest Acidic)	4.36	ChemAxon
pKa (Strongest Basic)	1.07	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	69.97 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	84.35 m³·mol⁻¹	ChemAxon
Polarizability	31.93 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

C00018596

Chemspider ID

10404585

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Salicin

METLIN ID

Not Available

PubChem Compound

14565317

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kang T, Zhao P, Yang J, Lin L, Feng X, Liu X: Asymmetric Catalytic Double Michael Additions for the Synthesis of Spirooxindoles. Chemistry. 2018 Mar 12;24(15):3703-3706. doi: 10.1002/chem.201800043. Epub 2018 Feb 19. [PubMed:29369438 ]
Wick JY: Aspirin: a history, a love story. Consult Pharm. 2012 May;27(5):322-9. doi: 10.4140/TCP.n.2012.322. [PubMed:22591976 ]
Carvalho PR, Silva DH, Bolzani VS, Furlan M: Antioxidant quinonemethide triterpenes from Salacia campestris. Chem Biodivers. 2005 Mar;2(3):367-72. doi: 10.1002/cbdv.200590016. [PubMed:17191985 ]
LOTUS database [Link]

Showing NP-Card for (2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde (NP0328642)

MOL for NP0328642 ((2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde)

3D MOL for NP0328642 ((2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde)

3D SDF for NP0328642 ((2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde)

3D-SDF for NP0328642 ((2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde)

PDB for NP0328642 ((2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde)

3D PDB for NP0328642 ((2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde)

SMILES for NP0328642 ((2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde)

INCHI for NP0328642 ((2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde)

Structure for NP0328642 ((2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde)

3D Structure for NP0328642 ((2's,3s)-2-hydroxy-2'-(3-oxopentyl)spiro[indole-3,3'-pyrrolidine]-1'-carbaldehyde)