NP-MRD: Showing NP-Card for perochalasin C + epi-perochalasin C (NP0333716)

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Record Information

Version

2.0

Created at

2024-08-10 00:16:03 UTC

Updated at

2024-09-16 20:05:11 UTC

NP-MRD ID

NP0333716

Natural Product DOI

https://doi.org/10.57994/3195

Secondary Accession Numbers

None

Natural Product Identification

Common Name

perochalasin C + epi-perochalasin C

Description

It was first documented in 2024 (PMID: 39313767). Based on a literature review a significant number of articles have been published on perochalasin C + epi-perochalasin C (PMID: 39313710) (PMID: 39313684) (PMID: 39313661) (PMID: 39313657).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 04242302492D          

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M  END


  Mrv2104 04242302492D          

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 23 17  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  1  0  0  0
 11 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
  6 28  1  0  0  0  0
 28 29  2  0  0  0  0
  4 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 37 38  2  0  0  0  0
 31 38  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  6  0  0  0
 43 46  1  1  0  0  0
 43 47  1  0  0  0  0
 47 40  1  0  0  0  0
 47 48  1  1  0  0  0
 47 49  1  0  0  0  0
 49 50  1  6  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 53 52  1  0  0  0  0
 53 54  1  1  0  0  0
 53 55  1  0  0  0  0
 55 56  2  0  0  0  0
 56 57  1  0  0  0  0
 58 57  1  0  0  0  0
 58 59  1  6  0  0  0
 58 60  1  0  0  0  0
 61 60  1  0  0  0  0
 61 55  1  0  0  0  0
 61 62  1  6  0  0  0
 61 63  1  1  0  0  0
 49 64  1  0  0  0  0
 64 65  1  1  0  0  0
 64 66  1  0  0  0  0
 44 66  1  0  0  0  0
 66 67  2  0  0  0  0
 42 68  1  1  0  0  0
 68 69  1  0  0  0  0
 69 70  2  0  0  0  0
 70 71  1  0  0  0  0
 71 72  2  0  0  0  0
 72 73  1  0  0  0  0
 73 74  1  0  0  0  0
 72 75  1  0  0  0  0
 75 76  2  0  0  0  0
 69 76  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0333716

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12[C@H](CC3=CC=C(OC)C=C3)NC(=O)[C@@]1(O)[C@@H](\C=C\C[C@H](C)C1=NO[C@@H](O)C[C@]1(C)O)[C@H](O)C(=C)[C@H]2C.[H][C@]12[C@H](CC3=CC=C(OC)C=C3)NC(=O)[C@@]1(O)[C@@H](\C=C\C[C@H](C)C1=NO[C@H](O)C[C@]1(C)O)[C@H](O)C(=C)[C@H]2C

> <INCHI_IDENTIFIER>
InChI=1S/2C28H38N2O7/c2*1-15(25-27(4,34)14-22(31)37-30-25)7-6-8-20-24(32)17(3)16(2)23-21(29-26(33)28(20,23)35)13-18-9-11-19(36-5)12-10-18/h2*6,8-12,15-16,20-24,31-32,34-35H,3,7,13-14H2,1-2,4-5H3,(H,29,33)/b2*8-6+/t15-,16+,20-,21-,22+,23-,24+,27-,28+;15-,16+,20-,21-,22-,23-,24+,27-,28+/m00/s1

> <INCHI_KEY>
RCIRLHKTQMQLIK-MJOKXSQJSA-N

> <FORMULA>
C56H76N4O14

> <MOLECULAR_WEIGHT>
1029.238

> <EXACT_MASS>
1028.535803143

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
150

> <JCHEM_AVERAGE_POLARIZABILITY>
53.95078236445389

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,3aS,4S,6S,7S,7aS)-7-[(1E,4S)-4-[(4S,6R)-4,6-dihydroxy-4-methyl-5,6-dihydro-4H-1,2-oxazin-3-yl]pent-1-en-1-yl]-6,7a-dihydroxy-3-[(4-methoxyphenyl)methyl]-4-methyl-5-methylidene-octahydro-1H-isoindol-1-one; (3S,3aS,4S,6S,7S,7aS)-7-[(1E,4S)-4-[(4S,6S)-4,6-dihydroxy-4-methyl-5,6-dihydro-4H-1,2-oxazin-3-yl]pent-1-en-1-yl]-6,7a-dihydroxy-3-[(4-methoxyphenyl)methyl]-4-methyl-5-methylidene-octahydro-1H-isoindol-1-one

> <JCHEM_LOGP>
2.127518284

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.239132061665382

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.536634789379693

> <JCHEM_PKA_STRONGEST_BASIC>
1.4040986488493385

> <JCHEM_POLAR_SURFACE_AREA>
140.84

> <JCHEM_REFRACTIVITY>
137.71209999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S,3aS,4S,6S,7S,7aS)-7-[(1E,4S)-4-[(4S,6R)-4,6-dihydroxy-4-methyl-5,6-dihydro-1,2-oxazin-3-yl]pent-1-en-1-yl]-6,7a-dihydroxy-3-[(4-methoxyphenyl)methyl]-4-methyl-5-methylidene-hexahydroisoindol-1-one; (3S,3aS,4S,6S,7S,7aS)-7-[(1E,4S)-4-[(4S,6S)-4,6-dihydroxy-4-methyl-5,6-dihydro-1,2-oxazin-3-yl]pent-1-en-1-yl]-6,7a-dihydroxy-3-[(4-methoxyphenyl)methyl]-4-methyl-5-methylidene-hexahydroisoindol-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-23         0                                  
HETATM    1  O   UNK     0      -1.789  -1.121   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -1.313   0.343   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -2.218   1.589   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -1.313   2.835   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.151   2.359   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.485   3.129   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.485   4.669   0.000  0.00  0.00           C+0
HETATM    8  H   UNK     0       1.485   1.589   0.000  0.00  0.00           H+0
HETATM    9  C   UNK     0       0.151   0.819   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -0.010  -0.712   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.485   0.049   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.485  -1.491   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.151  -2.261   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.151  -3.801   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.182  -4.571   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.516  -3.801   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.182  -6.111   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       0.151  -6.881   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0       0.151  -8.421   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -1.182  -9.191   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -1.182 -10.731   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -2.516  -8.421   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.516  -6.881   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -4.055  -6.827   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -3.332  -5.575   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.819   0.819   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.152   0.049   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       2.819   2.359   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.152   3.129   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -1.789   4.300   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -0.759   5.444   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.235   6.909   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.204   8.053   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.302   7.733   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.333   8.878   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       1.857  10.342   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.778   6.269   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       0.748   5.124   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      10.095  -1.121   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      10.571   0.343   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0       9.666   1.589   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0      10.571   2.835   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      12.036   2.359   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      13.370   3.129   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      13.370   4.669   0.000  0.00  0.00           C+0
HETATM   46  H   UNK     0      13.370   1.589   0.000  0.00  0.00           H+0
HETATM   47  C   UNK     0      12.036   0.819   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      11.875  -0.712   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      13.370   0.049   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      13.370  -1.491   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      12.036  -2.261   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      12.036  -3.801   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      10.702  -4.571   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       9.369  -3.801   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      10.702  -6.111   0.000  0.00  0.00           C+0
HETATM   56  N   UNK     0      12.036  -6.881   0.000  0.00  0.00           N+0
HETATM   57  O   UNK     0      12.036  -8.421   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0      10.702  -9.191   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0      10.702 -10.731   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0       9.369  -8.421   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0       9.369  -6.881   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0       7.829  -6.827   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0       8.552  -5.575   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      14.703   0.819   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0      16.037   0.049   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0      14.703   2.359   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      16.037   3.129   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      10.095   4.300   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      11.126   5.444   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      10.650   6.909   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      11.680   8.053   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      13.187   7.733   0.000  0.00  0.00           C+0
HETATM   73  O   UNK     0      14.217   8.878   0.000  0.00  0.00           O+0
HETATM   74  C   UNK     0      13.741  10.342   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      13.663   6.269   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      12.632   5.124   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   30                                                  
CONECT    5    4    6    8    9                                             
CONECT    6    5    7   28                                                  
CONECT    7    6                                                            
CONECT    8    5                                                            
CONECT    9    5    2   10   11                                             
CONECT   10    9                                                            
CONECT   11    9   12   26                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   23                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   17   24   25                                             
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   11   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26    6   29                                                  
CONECT   29   28                                                            
CONECT   30    4   31                                                       
CONECT   31   30   32   38                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   37                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   34   38                                                       
CONECT   38   37   31                                                       
CONECT   39   40                                                            
CONECT   40   39   41   47                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   68                                                  
CONECT   43   42   44   46   47                                             
CONECT   44   43   45   66                                                  
CONECT   45   44                                                            
CONECT   46   43                                                            
CONECT   47   43   40   48   49                                             
CONECT   48   47                                                            
CONECT   49   47   50   64                                                  
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   53                                                       
CONECT   53   52   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56   61                                                  
CONECT   56   55   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57   59   60                                                  
CONECT   59   58                                                            
CONECT   60   58   61                                                       
CONECT   61   60   55   62   63                                             
CONECT   62   61                                                            
CONECT   63   61                                                            
CONECT   64   49   65   66                                                  
CONECT   65   64                                                            
CONECT   66   64   44   67                                                  
CONECT   67   66                                                            
CONECT   68   42   69                                                       
CONECT   69   68   70   76                                                  
CONECT   70   69   71                                                       
CONECT   71   70   72                                                       
CONECT   72   71   73   75                                                  
CONECT   73   72   74                                                       
CONECT   74   73                                                            
CONECT   75   72   76                                                       
CONECT   76   75   69                                                       
MASTER        0    0    0    0    0    0    0    0   76    0  164    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₆H₇₆N₄O₁₄

Average Mass

1029.2380 Da

Monoisotopic Mass

1028.53580 Da

IUPAC Name

(3S,3aS,4S,6S,7S,7aS)-7-[(1E,4S)-4-[(4S,6R)-4,6-dihydroxy-4-methyl-5,6-dihydro-4H-1,2-oxazin-3-yl]pent-1-en-1-yl]-6,7a-dihydroxy-3-[(4-methoxyphenyl)methyl]-4-methyl-5-methylidene-octahydro-1H-isoindol-1-one; (3S,3aS,4S,6S,7S,7aS)-7-[(1E,4S)-4-[(4S,6S)-4,6-dihydroxy-4-methyl-5,6-dihydro-4H-1,2-oxazin-3-yl]pent-1-en-1-yl]-6,7a-dihydroxy-3-[(4-methoxyphenyl)methyl]-4-methyl-5-methylidene-octahydro-1H-isoindol-1-one

Traditional Name

(3S,3aS,4S,6S,7S,7aS)-7-[(1E,4S)-4-[(4S,6R)-4,6-dihydroxy-4-methyl-5,6-dihydro-1,2-oxazin-3-yl]pent-1-en-1-yl]-6,7a-dihydroxy-3-[(4-methoxyphenyl)methyl]-4-methyl-5-methylidene-hexahydroisoindol-1-one; (3S,3aS,4S,6S,7S,7aS)-7-[(1E,4S)-4-[(4S,6S)-4,6-dihydroxy-4-methyl-5,6-dihydro-1,2-oxazin-3-yl]pent-1-en-1-yl]-6,7a-dihydroxy-3-[(4-methoxyphenyl)methyl]-4-methyl-5-methylidene-hexahydroisoindol-1-one

CAS Registry Number

Not Available

SMILES

[H][C@]12[C@H](CC3=CC=C(OC)C=C3)NC(=O)[C@@]1(O)[C@@H](\C=C\C[C@H](C)C1=NO[C@@H](O)C[C@]1(C)O)[C@H](O)C(=C)[C@H]2C.[H][C@]12[C@H](CC3=CC=C(OC)C=C3)NC(=O)[C@@]1(O)[C@@H](\C=C\C[C@H](C)C1=NO[C@H](O)C[C@]1(C)O)[C@H](O)C(=C)[C@H]2C

InChI Identifier

InChI=1S/2C28H38N2O7/c2*1-15(25-27(4,34)14-22(31)37-30-25)7-6-8-20-24(32)17(3)16(2)23-21(29-26(33)28(20,23)35)13-18-9-11-19(36-5)12-10-18/h2*6,8-12,15-16,20-24,31-32,34-35H,3,7,13-14H2,1-2,4-5H3,(H,29,33)/b2*8-6+/t15-,16+,20-,21-,22+,23-,24+,27-,28+;15-,16+,20-,21-,22-,23-,24+,27-,28+/m00/s1

InChI Key

RCIRLHKTQMQLIK-MJOKXSQJSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)	Not Available	Not Available	Marcelo	2024-08-10	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)	Not Available	Not Available	Marcelo	2024-08-10	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)	Not Available	Not Available	Marcelo	2024-08-10	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	Not Available	Not Available	Marcelo	2024-08-10	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)	Not Available	Not Available	Marcelo	2024-08-10	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	Not Available	Not Available	Marcelo	2024-08-10	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	Not Available	Not Available	Marcelo	2024-08-10	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)	Not Available	Not Available	Marcelo	2024-08-10	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)	Not Available	Not Available	Marcelo	2024-08-10	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
sp. M16		Not Available

Chemical Taxonomy

Classification

Not classified

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	2.13	ChemAxon
pKa (Strongest Acidic)	11.54	ChemAxon
pKa (Strongest Basic)	1.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	140.84 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	137.71 m³·mol⁻¹	ChemAxon
Polarizability	53.95 Å³	ChemAxon
Number of Rings	8	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

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Ebrahimi K, Bagheri R, Gholamhosseinian H, Keramati MR, Rafatpanah H, Iranshahi M, Rassouli FB: Umbelliprenin improved anti-proliferative effects of ionizing radiation on adult T-cell leukemia/lymphoma cells via interaction with CDK6; an in vitro and in silico study. Int J Immunopathol Pharmacol. 2024 Jan-Dec;38:3946320241287873. doi: 10.1177/03946320241287873. [PubMed:39313767 ]
Kancherla R, Lohith TN, Deshmukh S, Mulka SR, Kuruvalli G, Reddy MBM: Synthesis, spectroscopic characterization, DFT calculations, in silico-ADMET and molecular docking analysis of novel quinoline-substituted 5H-chromeno [2,3-b] pyridine derivatives as antibacterial agents. Mol Divers. 2024 Sep 23. doi: 10.1007/s11030-024-10982-x. [PubMed:39313710 ]
Frank S, Lessa Derci Augustynczik A, Havlik P, Boere E, Ermolieva T, Fricko O, Di Fulvio F, Gusti M, Krisztin T, Lauri P, Palazzo A, Wogerer M: Enhanced agricultural carbon sinks provide benefits for farmers and the climate. Nat Food. 2024 Sep;5(9):742-753. doi: 10.1038/s43016-024-01039-1. Epub 2024 Sep 23. [PubMed:39313684 ]
Cardoso JF, do Valle C, Neppelenbroek KH, Oliveira Valarelli TM, Sforza C, Soares S: Comparative 3D Analysis of Lip Rejuvenation: Investigating Effects Before and After Soft-Tissue Filler Compared with Controls. Aesthetic Plast Surg. 2024 Sep 23. doi: 10.1007/s00266-024-04410-6. [PubMed:39313661 ]
Arthur R, Navik U, Kumar P: Artemisinin Ameliorates the Neurotoxic Effect of 3-Nitropropionic Acid: A Possible Involvement of the ERK/BDNF/Nrf2/HO-1 Signaling Pathway. Mol Neurobiol. 2024 Sep 23. doi: 10.1007/s12035-024-04487-9. [PubMed:39313657 ]

Showing NP-Card for perochalasin C + epi-perochalasin C (NP0333716)

MOL for NP0333716 (perochalasin C + epi-perochalasin C)

3D MOL for NP0333716 (perochalasin C + epi-perochalasin C)

3D SDF for NP0333716 (perochalasin C + epi-perochalasin C)

3D-SDF for NP0333716 (perochalasin C + epi-perochalasin C)

PDB for NP0333716 (perochalasin C + epi-perochalasin C)

3D PDB for NP0333716 (perochalasin C + epi-perochalasin C)

SMILES for NP0333716 (perochalasin C + epi-perochalasin C)

INCHI for NP0333716 (perochalasin C + epi-perochalasin C)

Structure for NP0333716 (perochalasin C + epi-perochalasin C)

3D Structure for NP0333716 (perochalasin C + epi-perochalasin C)