NP-MRD: Showing NP-Card for 27-hydroxykuroshine A (NP0353142)

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Record Information

Version

2.0

Created at

2026-02-17 23:05:13 UTC

Updated at

2026-02-18 00:01:55 UTC

NP-MRD ID

NP0353142

Natural Product DOI

https://doi.org/10.57994/7500

Secondary Accession Numbers

None

Natural Product Identification

Common Name

27-hydroxykuroshine A

Description

27-hydroxykuroshine A was first documented in 2019 (PMID: 31584818).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03182320172D          

 42 49  0  0  1  0            999 V2000
    6.3664   -2.1093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3698   -1.2843    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0940   -1.2469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0571   -2.1257    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3173   -2.5744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9766   -3.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7086   -3.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8837   -3.8369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419   -3.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1824   -4.5260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7960   -1.7588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7394   -2.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -2.2444    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1637   -2.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644   -1.4169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6383   -0.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8897   -0.9421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2316   -0.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9636   -0.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7121    0.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    1.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5344    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3868   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3130   -1.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9876   -1.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6720   -3.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7958   -0.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9342   -0.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6280   -1.2398    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8765   -0.8684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7756    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9354    0.1571    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0805    0.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923   -0.6422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8702   -0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2041   -1.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0964   -1.2856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9853   -0.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469   -2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8646   -2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5927   -2.1125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3209   -2.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  4 11  1  1  0  0  0
  4 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  1  0  0  0
 15 13  1  0  0  0  0
 15 16  1  6  0  0  0
 17 15  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  2  0  0  0  0
 23 24  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  2  0  0  0  0
 12 26  2  0  0  0  0
  3 27  1  6  0  0  0
 27 28  1  0  0  0  0
  2 29  1  0  0  0  0
 29 28  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  0  0  0  0
 32 31  1  0  0  0  0
 32 33  1  0  0  0  0
 34 33  1  0  0  0  0
 34 35  1  1  0  0  0
 34 36  1  0  0  0  0
 37 30  1  6  0  0  0
 37 36  1  0  0  0  0
 37 38  1  0  0  0  0
 32 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 29 41  1  0  0  0  0
 41 40  1  0  0  0  0
  5 41  1  0  0  0  0
 41 42  1  1  0  0  0
M  END


  Mrv2104 03182320172D          

 42 49  0  0  1  0            999 V2000
    6.3664   -2.1093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3698   -1.2843    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0940   -1.2469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0571   -2.1257    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3173   -2.5744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9766   -3.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7086   -3.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8837   -3.8369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419   -3.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1824   -4.5260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7960   -1.7588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7394   -2.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875   -2.2444    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1637   -2.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5644   -1.4169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6383   -0.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8897   -0.9421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2316   -0.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9636   -0.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7121    0.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    1.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5344    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3868   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3130   -1.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9876   -1.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6720   -3.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7958   -0.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9342   -0.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6280   -1.2398    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8765   -0.8684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7756    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9354    0.1571    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0805    0.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923   -0.6422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8702   -0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2041   -1.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0964   -1.2856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9853   -0.5873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1469   -2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8646   -2.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5927   -2.1125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3209   -2.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  4 11  1  1  0  0  0
  4 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  1  0  0  0
 15 13  1  0  0  0  0
 15 16  1  6  0  0  0
 17 15  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  2  0  0  0  0
 23 24  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  2  0  0  0  0
 12 26  2  0  0  0  0
  3 27  1  6  0  0  0
 27 28  1  0  0  0  0
  2 29  1  0  0  0  0
 29 28  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  0  0  0  0
 32 31  1  0  0  0  0
 32 33  1  0  0  0  0
 34 33  1  0  0  0  0
 34 35  1  1  0  0  0
 34 36  1  0  0  0  0
 37 30  1  6  0  0  0
 37 36  1  0  0  0  0
 37 38  1  0  0  0  0
 32 38  1  1  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 29 41  1  0  0  0  0
 41 40  1  0  0  0  0
  5 41  1  0  0  0  0
 41 42  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0353142

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CC(CO)=CC(=O)[C@@]1([H])[C@@H](C)C(=O)[C@]1([H])[C@@]3(COC(=O)C3)[C@]3(C)CC[C@]45C[C@@H](C)C[C@H](CN4[C@]33OC[C@]21[C@H]3O)O5

> <INCHI_IDENTIFIER>
InChI=1S/C30H39NO8/c1-15-6-18-11-31-28(9-15,39-18)5-4-26(3)27(10-21(34)37-13-27)24-23(35)16(2)22-19(7-17(12-32)8-20(22)33)29(24)14-38-30(26,31)25(29)36/h8,15-16,18-19,22,24-25,32,36H,4-7,9-14H2,1-3H3/t15-,16+,18+,19+,22-,24+,25+,26-,27+,28-,29-,30+/m0/s1

> <INCHI_KEY>
FQJYRRRDXROCAU-FTNYKNITSA-N

> <FORMULA>
C30H39NO8

> <MOLECULAR_WEIGHT>
541.641

> <EXACT_MASS>
541.26756722

$$$$

HEADER    PROTEIN                                 18-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-MAR-23         0                                  
HETATM    1  O   UNK     0      11.884  -3.937   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      11.890  -2.397   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.242  -2.328   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.173  -3.968   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.792  -4.806   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.023  -5.731   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.523  -7.188   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      10.983  -7.162   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      10.532  -5.690   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      13.407  -8.449   0.000  0.00  0.00           O+0
HETATM   11  H   UNK     0      14.553  -3.283   0.000  0.00  0.00           H+0
HETATM   12  C   UNK     0      14.447  -4.853   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      15.843  -4.189   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      17.105  -5.072   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.987  -2.645   0.000  0.00  0.00           C+0
HETATM   16  H   UNK     0      16.125  -1.111   0.000  0.00  0.00           H+0
HETATM   17  C   UNK     0      14.728  -1.759   0.000  0.00  0.00           C+0
HETATM   18  H   UNK     0      13.499  -0.830   0.000  0.00  0.00           H+0
HETATM   19  C   UNK     0      14.865  -0.225   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      16.263   0.423   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.400   1.957   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      17.798   2.604   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      17.522  -0.463   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.384  -1.997   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      18.644  -2.884   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      14.321  -6.387   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      12.686  -0.759   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      11.077  -0.760   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      10.506  -2.314   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       9.103  -1.621   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       8.915   0.017   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.346   0.293   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.750   0.223   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.026  -1.199   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.491  -1.327   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.981  -2.487   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.647  -2.400   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       7.439  -1.096   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       7.741  -3.969   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.081  -4.730   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      10.440  -3.943   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       9.932  -5.397   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   29                                                  
CONECT    3    2    4   17   27                                             
CONECT    4    3    5   11   12                                             
CONECT    5    4    6    9   41                                             
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8    5                                                       
CONECT   10    7                                                            
CONECT   11    4                                                            
CONECT   12    4   13   26                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17   24                                             
CONECT   16   15                                                            
CONECT   17   15    3   18   19                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21                                                            
CONECT   23   20   24                                                       
CONECT   24   23   15   25                                                  
CONECT   25   24                                                            
CONECT   26   12                                                            
CONECT   27    3   28                                                       
CONECT   28   27   29                                                       
CONECT   29    2   28   30   41                                             
CONECT   30   29   31   37                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   38                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   30   36   38   39                                             
CONECT   38   37   32                                                       
CONECT   39   37   40                                                       
CONECT   40   39   41                                                       
CONECT   41   29   40    5   42                                             
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₉NO₈

Average Mass

541.6410 Da

Monoisotopic Mass

541.26757 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12CC(CO)=CC(=O)[C@@]1([H])[C@@H](C)C(=O)[C@]1([H])[C@@]3(COC(=O)C3)[C@]3(C)CC[C@]45C[C@@H](C)C[C@H](CN4[C@]33OC[C@]21[C@H]3O)O5

InChI Identifier

InChI=1S/C30H39NO8/c1-15-6-18-11-31-28(9-15,39-18)5-4-26(3)27(10-21(34)37-13-27)24-23(35)16(2)22-19(7-17(12-32)8-20(22)33)29(24)14-38-30(26,31)25(29)36/h8,15-16,18-19,22,24-25,32,36H,4-7,9-14H2,1-3H3/t15-,16+,18+,19+,22-,24+,25+,26-,27+,28-,29-,30+/m0/s1

InChI Key

FQJYRRRDXROCAU-FTNYKNITSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600.0, Pyridine-d5, simulated)	[email protected]	Not Available	Not Available	2026-02-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 150.0, Pyridine-d5, simulated)	[email protected]	Not Available	Not Available	2026-02-17	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Zoanthus vietnamensis		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

External Links

Not Available

References

General References

DOI: 10.1021/acs.jnatprod.9b00451

Showing NP-Card for 27-hydroxykuroshine A (NP0353142)

MOL for NP0353142 (27-hydroxykuroshine A)

3D MOL for NP0353142 (27-hydroxykuroshine A)

3D SDF for NP0353142 (27-hydroxykuroshine A)

3D-SDF for NP0353142 (27-hydroxykuroshine A)

PDB for NP0353142 (27-hydroxykuroshine A)

3D PDB for NP0353142 (27-hydroxykuroshine A)

SMILES for NP0353142 (27-hydroxykuroshine A)

INCHI for NP0353142 (27-hydroxykuroshine A)

Structure for NP0353142 (27-hydroxykuroshine A)

3D Structure for NP0353142 (27-hydroxykuroshine A)