NP-MRD: Showing NP-Card for Shizukaol C (NP0140376)

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Record Information

Version

2.0

Created at

2022-06-29 21:31:16 UTC

Updated at

2022-06-29 21:31:16 UTC

NP-MRD ID

NP0140376

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Shizukaol C

Description

Shizukaol C belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Shizukaol C is found in Chloranthus henryi, Chloranthus serratus and Chloranthus spicatus. Shizukaol C was first documented in 2017 (PMID: 29243431). Based on a literature review a small amount of articles have been published on Shizukaol C (PMID: 34715153) (PMID: 28535608) (PMID: 28408269).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652306292223312D          

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M  END

     RDKit          3D

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M  END


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    4.9887    2.4546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5497    3.1531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0784    3.7864    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7942    4.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9814    4.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4262    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7424    5.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2955    5.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6765    4.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4527    4.0687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7369    3.2942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2082    2.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3954    2.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1112    3.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399    4.2099    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3557    4.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623    5.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6941    5.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8099    6.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5454    7.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1185    7.2071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3830    6.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5429    5.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9221    5.7187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0142    4.4922    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2984    3.7177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0614    2.7520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7466    2.2924    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0060    1.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4026    3.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1362    4.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8208    6.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6096    6.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2480    2.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1833    4.3203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 12 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 21 20  1  1  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 26 25  1  6  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 25 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 24 39  1  0  0  0  0
 39 40  1  1  0  0  0
 38 40  1  1  0  0  0
 37 41  1  1  0  0  0
 36 42  1  1  0  0  0
 17 43  1  0  0  0  0
 43 44  1  0  0  0  0
 13 45  1  1  0  0  0
  9 46  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0140376

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C(\C)=C1\[C@H]2C3=C(C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6[C@@](O)(COC(=O)C(\C)=C\C)[C@@H]5CC5=C(CO)C(=O)O[C@]245)[C@H]2C[C@H]2[C@]3(C)[C@@H](O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C36H42O10/c1-7-14(2)30(40)45-13-35(43)22-10-21(22)33(4)23(35)11-20-18(12-37)32(42)46-36(20)24(33)9-17-16-8-19(16)34(5)26(17)27(36)25(28(38)29(34)39)15(3)31(41)44-6/h7,16,19,21-24,27,29,37,39,43H,8-13H2,1-6H3/b14-7+,25-15-/t16-,19-,21-,22+,23-,24+,27+,29+,33+,34+,35+,36+/m1/s1

> <INCHI_KEY>
KDKIOCIPCJDWMT-ADSFGAOYSA-N

> <FORMULA>
C36H42O10

> <MOLECULAR_WEIGHT>
634.722

> <EXACT_MASS>
634.277797552

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
65.79780993083986

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(1R,2S,8R,9S,10S,12R,13S,14S,17S,19R,20S,21R,23Z)-9,21-dihydroxy-5-(hydroxymethyl)-23-(1-methoxy-1-oxopropan-2-ylidene)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0^{2,6}.0^{2,14}.0^{8,13}.0^{10,12}.0^{17,19}.0^{20,24}]tetracosa-5,16(24)-dien-9-yl]methyl (2E)-2-methylbut-2-enoate

> <ALOGPS_LOGP>
2.58

> <JCHEM_LOGP>
2.16219239333333

> <ALOGPS_LOGS>
-4.39

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.084354471535779

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.944634207475246

> <JCHEM_PKA_STRONGEST_BASIC>
-2.860197773835427

> <JCHEM_POLAR_SURFACE_AREA>
156.66000000000003

> <JCHEM_REFRACTIVITY>
164.69450000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.59e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(1R,2S,8R,9S,10S,12R,13S,14S,17S,19R,20S,21R,23Z)-9,21-dihydroxy-5-(hydroxymethyl)-23-(1-methoxy-1-oxopropan-2-ylidene)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0^{2,6}.0^{2,14}.0^{8,13}.0^{10,12}.0^{17,19}.0^{20,24}]tetracosa-5,16(24)-dien-9-yl]methyl (2E)-2-methylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUN-22         0                                  
HETATM    1  C   UNK     0      17.679   9.723   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.411   8.848   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.020   9.509   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.897  11.044   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.752   8.635   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      12.361   9.295   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      13.876   7.100   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      12.553   6.187   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.909   6.495   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.806   4.958   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.385   3.477   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.312   4.582   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.493   5.886   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.480   7.068   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.949   8.514   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.432   8.777   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.396  10.062   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.119   9.705   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.285  11.177   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.996   8.385   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       6.445   7.595   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.976   6.149   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.989   4.967   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.471   5.230   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.941   6.676   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.928   7.858   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.397   9.304   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.156  10.956   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.896  10.940   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.245  12.613   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       6.618  13.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       3.955  13.453   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       2.582  12.756   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.880   9.568   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       1.721  10.675   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       1.893   8.386   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.424   6.940   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.981   5.137   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       3.260   4.279   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.878   3.601   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       0.752   6.678   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       0.254   8.708   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       7.132  11.938   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       8.605  12.702   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       7.930   4.250   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      11.542   8.064   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   14   46                                             
CONECT   10    9   11   12                                                  
CONECT   11   10   12                                                       
CONECT   12   11   10   13                                                  
CONECT   13   12   14   22   45                                             
CONECT   14   13    9   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18   43                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   16   22   26                                             
CONECT   22   21   13   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   39                                                  
CONECT   25   24   26   37                                                  
CONECT   26   25   21   27                                                  
CONECT   27   26   28   34                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32                                                            
CONECT   34   27   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   42                                                  
CONECT   37   36   25   38   41                                             
CONECT   38   37   39   40                                                  
CONECT   39   38   24   40                                                  
CONECT   40   39   38                                                       
CONECT   41   37                                                            
CONECT   42   36                                                            
CONECT   43   17   44                                                       
CONECT   44   43                                                            
CONECT   45   13                                                            
CONECT   46    9                                                            
MASTER        0    0    0    0    0    0    0    0   46    0  106    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₄₂O₁₀

Average Mass

634.7220 Da

Monoisotopic Mass

634.27780 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC(=O)C(\C)=C1\[C@H]2C3=C(C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6[C@@](O)(COC(=O)C(\C)=C\C)[C@@H]5CC5=C(CO)C(=O)O[C@]245)[C@H]2C[C@H]2[C@]3(C)[C@@H](O)C1=O

InChI Identifier

InChI=1S/C36H42O10/c1-7-14(2)30(40)45-13-35(43)22-10-21(22)33(4)23(35)11-20-18(12-37)32(42)46-36(20)24(33)9-17-16-8-19(16)34(5)26(17)27(36)25(28(38)29(34)39)15(3)31(41)44-6/h7,16,19,21-24,27,29,37,39,43H,8-13H2,1-6H3/b14-7+,25-15-/t16-,19-,21-,22+,23-,24+,27+,29+,33+,34+,35+,36+/m1/s1

InChI Key

KDKIOCIPCJDWMT-ADSFGAOYSA-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
Chloranthus henryi	LOTUS Database	35616633
Chloranthus serratus	LOTUS Database	35616633
Chloranthus spicatus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Steroid ester
Naphthofuran
Tricarboxylic acid or derivatives
Fatty acid ester
2-furanone
Fatty acyl
Cyclic alcohol
Dihydrofuran
Tertiary alcohol
Alpha,beta-unsaturated carboxylic ester
Methyl ester
Enoate ester
Secondary alcohol
Lactone
Ketone
Cyclic ketone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Primary alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Alcohol
Organic oxygen compound
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00034249

Chemspider ID

28425538

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71591590

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zhang SS, Fu JJ, Chen HY, Tu LF, Xiao CR, Zhang RZ, Liu DP, Luo YM: [Sesquiterpenes with anti-metastasis breast cancer activity from Chloranthus henryi]. Zhongguo Zhong Yao Za Zhi. 2017 Oct;42(20):3938-3944. doi: 10.19540/j.cnki.cjcmm.2017.0159. [PubMed:29243431 ]
Wang XJ, Yu SZ, Xin JL, Pan LL, Xiong J, Hu JF: Further terpenoids from the Chloranthaceae plant Chloranthus multistachys and their anti-neuroinflammatory activities. Fitoterapia. 2022 Jan;156:105068. doi: 10.1016/j.fitote.2021.105068. Epub 2021 Oct 29. [PubMed:34715153 ]
Kang TH, Lee YM, Lee WJ, Hwang EI, Park KD, Choi GJ, Moon JS, Park HY, Kim SU: Antifungal Activities of Dimeric Sesquiterpenes, Shizukaols C and F, Isolated from Chloranthus japonicus Sieb. J Microbiol Biotechnol. 2017 Jul 28;27(7):1272-1275. doi: 10.4014/jmb.1612.12051. [PubMed:28535608 ]
Zhuo ZG, Wu GZ, Fang X, Tian XH, Dong HY, Xu XK, Li HL, Xie N, Zhang WD, Shen YH: Chlorajaponols A-F, sesquiterpenoids from Chloranthus japonicus and their in vitro anti-inflammatory and anti-tumor activities. Fitoterapia. 2017 Jun;119:90-99. doi: 10.1016/j.fitote.2017.04.009. Epub 2017 Apr 10. [PubMed:28408269 ]

Showing NP-Card for Shizukaol C (NP0140376)

MOL for NP0140376 (Shizukaol C)

3D MOL for NP0140376 (Shizukaol C)

3D SDF for NP0140376 (Shizukaol C)

3D-SDF for NP0140376 (Shizukaol C)

PDB for NP0140376 (Shizukaol C)

3D PDB for NP0140376 (Shizukaol C)

SMILES for NP0140376 (Shizukaol C)

INCHI for NP0140376 (Shizukaol C)

Structure for NP0140376 (Shizukaol C)

3D Structure for NP0140376 (Shizukaol C)