NP-MRD: Showing NP-Card for kuroshine I (NP0353137)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2026-02-17 22:05:00 UTC

Updated at

2026-02-18 00:01:55 UTC

NP-MRD ID

NP0353137

Natural Product DOI

https://doi.org/10.57994/7495

Secondary Accession Numbers

None

Natural Product Identification

Common Name

kuroshine I

Description

kuroshine I was first documented in 2019 (PMID: 31584818).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03182319172D          

 40 47  0  0  1  0            999 V2000
    0.8700    3.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    3.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492    3.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3692    2.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0356    2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810    1.8536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3892    1.4236    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6530    2.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    0.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0880    0.1541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8519    0.6029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0510   -0.1018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1656   -0.8082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0243   -0.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3177    0.1884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1235    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7147    0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2949   -0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8334    1.4461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085    1.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6332    0.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8326    0.5530    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0029    0.4829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1872    1.2856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2369   -0.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4193   -0.8925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2346   -0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6450   -1.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.9998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9357    1.4438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3096    2.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4813    1.7414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0889    2.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974    0.9077    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3912    1.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3756    0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463    0.6522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4757    2.8281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.9837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 20  1  0  0  0  0
  9 21  2  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 26 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  1  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 22 30  1  0  0  0  0
 31 22  1  0  0  0  0
  6 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 32  1  0  0  0  0
 33 34  1  1  0  0  0
 35 33  1  0  0  0  0
 23 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 27 37  1  0  0  0  0
 37 38  2  0  0  0  0
 32 39  2  0  0  0  0
 31 40  1  6  0  0  0
M  END


  Mrv2104 03182319172D          

 40 47  0  0  1  0            999 V2000
    0.8700    3.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3250    3.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492    3.1037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3692    2.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0356    2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810    1.8536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3892    1.4236    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6530    2.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    0.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0880    0.1541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8519    0.6029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0510   -0.1018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1656   -0.8082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0243   -0.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3177    0.1884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1235    0.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7147    0.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2949   -0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8334    1.4461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085    1.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6332    0.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8326    0.5530    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0029    0.4829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1872    1.2856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2369   -0.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4193   -0.8925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2346   -0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6450   -1.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667   -0.9998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9357    1.4438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3096    2.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4813    1.7414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0889    2.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6974    0.9077    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3912    1.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3756    0.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463    0.6522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4757    2.8281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.9837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 20  1  0  0  0  0
  9 21  2  0  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 26 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  1  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 22 30  1  0  0  0  0
 31 22  1  0  0  0  0
  6 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 32  1  0  0  0  0
 33 34  1  1  0  0  0
 35 33  1  0  0  0  0
 23 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 27 37  1  0  0  0  0
 37 38  2  0  0  0  0
 32 39  2  0  0  0  0
 31 40  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0353137

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12C[C@@]3(C)CC(=O)[C@]1([H])[C@@H](C)C(=O)[C@@]1([H])[C@@]4(COC(=O)C4)[C@]4(C)CC[C@]56C[C@@H](C)C[C@H](CN5C4=C[C@@]21CO3)O6

> <INCHI_IDENTIFIER>
InChI=1S/C30H39NO6/c1-16-7-18-13-31-21-11-28-14-36-26(3)9-19(28)23(20(32)10-26)17(2)24(34)25(28)29(12-22(33)35-15-29)27(21,4)5-6-30(31,8-16)37-18/h11,16-19,23,25H,5-10,12-15H2,1-4H3/t16-,17+,18+,19+,23+,25+,26-,27+,28+,29+,30-/m0/s1

> <INCHI_KEY>
ANNKXVFJEVEMAK-TWXJIVGFSA-N

> <FORMULA>
C30H39NO6

> <MOLECULAR_WEIGHT>
509.643

> <EXACT_MASS>
509.27773798

$$$$

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       1.624   7.146   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.473   5.862   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.012   5.794   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       4.422   4.309   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.933   4.419   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.138   3.460   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.460   2.657   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.952   4.117   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.433   1.106   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       5.764   0.288   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       7.190   1.125   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       7.562  -0.190   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       7.776  -1.509   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.379  -1.156   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.926   0.352   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.430   0.682   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.801   1.487   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.150  -1.324   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.156   2.699   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.803   3.432   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.049   0.435   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.554   1.032   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.005   0.901   0.000  0.00  0.00           C+0
HETATM   24  H   UNK     0       0.350   2.400   0.000  0.00  0.00           H+0
HETATM   25  C   UNK     0      -0.442  -0.528   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.783  -1.666   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.305  -0.961   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.204  -3.147   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       0.871  -1.866   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.921  -0.599   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.747   2.695   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.578   3.771   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.898   3.251   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.033   4.292   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.302   1.694   0.000  0.00  0.00           C+0
HETATM   36  H   UNK     0      -2.597   2.527   0.000  0.00  0.00           H+0
HETATM   37  C   UNK     0      -2.568   0.668   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -4.006   1.217   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       0.888   5.279   0.000  0.00  0.00           O+0
HETATM   40  H   UNK     0       3.025   1.836   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3    5                                                  
CONECT    3    2    4                                                       
CONECT    4    3    6                                                       
CONECT    5    2    6                                                       
CONECT    6    5    4    7   31                                             
CONECT    7    6    8    9   20                                             
CONECT    8    7                                                            
CONECT    9    7   10   21                                                  
CONECT   10    9   11   18                                                  
CONECT   11   10   12   17   19                                             
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   11                                                       
CONECT   18   13   10                                                       
CONECT   19   11   20                                                       
CONECT   20   19    7                                                       
CONECT   21    9   22                                                       
CONECT   22   21   23   30   31                                             
CONECT   23   22   24   25   35                                             
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   28   29                                             
CONECT   27   26   37                                                       
CONECT   28   26                                                            
CONECT   29   26   30                                                       
CONECT   30   29   22                                                       
CONECT   31   22    6   32   40                                             
CONECT   32   31   33   39                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   23   36   37                                             
CONECT   36   35                                                            
CONECT   37   35   27   38                                                  
CONECT   38   37                                                            
CONECT   39   32                                                            
CONECT   40   31                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₉NO₆

Average Mass

509.6430 Da

Monoisotopic Mass

509.27774 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12C[C@@]3(C)CC(=O)[C@]1([H])[C@@H](C)C(=O)[C@@]1([H])[C@@]4(COC(=O)C4)[C@]4(C)CC[C@]56C[C@@H](C)C[C@H](CN5C4=C[C@@]21CO3)O6

InChI Identifier

InChI=1S/C30H39NO6/c1-16-7-18-13-31-21-11-28-14-36-26(3)9-19(28)23(20(32)10-26)17(2)24(34)25(28)29(12-22(33)35-15-29)27(21,4)5-6-30(31,8-16)37-18/h11,16-19,23,25H,5-10,12-15H2,1-4H3/t16-,17+,18+,19+,23+,25+,26-,27+,28+,29+,30-/m0/s1

InChI Key

ANNKXVFJEVEMAK-TWXJIVGFSA-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, 400.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100.0, Chloroform-d, 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 kuroshine I (NP0353137)

MOL for NP0353137 (kuroshine I)

3D MOL for NP0353137 (kuroshine I)

3D SDF for NP0353137 (kuroshine I)

3D-SDF for NP0353137 (kuroshine I)

PDB for NP0353137 (kuroshine I)

3D PDB for NP0353137 (kuroshine I)

SMILES for NP0353137 (kuroshine I)

INCHI for NP0353137 (kuroshine I)

Structure for NP0353137 (kuroshine I)

3D Structure for NP0353137 (kuroshine I)