NP-MRD: Showing NP-Card for Epi-miniolutelide C (NP0331479)

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Record Information

Version

2.0

Created at

2023-01-30 20:01:13 UTC

Updated at

2026-02-25 11:08:31 UTC

NP-MRD ID

NP0331479

Natural Product DOI

https://doi.org/10.57994/0433

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Epi-miniolutelide C

Description

Epi-miniolutelide C belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety. Epi-miniolutelide C was first documented in 2023 (PMID: 36526742). Based on a literature review very few articles have been published on Epi-miniolutelide C.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652301302321012D          

 38 43  0  0  1  0            999 V2000
    5.5904    2.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9382    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1683    1.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5973    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3629    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5735   -0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    0.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3202    0.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2643    0.1553    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6741    0.8713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9455    0.7915    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1727    0.5028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6205   -0.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7193   -1.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4729   -1.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5716   -0.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5362    1.0278    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3998    0.2141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726    1.8414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5150    2.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591    2.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6477    1.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2366    0.7390    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0547    0.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3730   -0.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2634   -0.5995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1610   -1.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0363   -0.3108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8258   -1.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034   -0.5421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622    2.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4454    2.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5829    1.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0819    1.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    2.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9634    2.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5659    1.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1370    2.2873    0.0000 C   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
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
  9 30  1  0  0  0  0
 21 31  2  0  0  0  0
 19 32  1  0  0  0  0
 11 33  1  1  0  0  0
 11 34  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
  7 37  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
  2 38  1  0  0  0  0
M  END


  Mrv1652301302321012D          

 38 43  0  0  1  0            999 V2000
    5.5904    2.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9382    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1683    1.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5973    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3629    0.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5735   -0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    0.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3202    0.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2643    0.1553    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6741    0.8713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9455    0.7915    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1727    0.5028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6205   -0.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7193   -1.2045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4729   -1.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5716   -0.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5362    1.0278    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3998    0.2141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6726    1.8414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5150    2.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591    2.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6477    1.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2366    0.7390    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0547    0.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3730   -0.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2634   -0.5995    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1610   -1.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0363   -0.3108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8258   -1.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0034   -0.5421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5622    2.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4454    2.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5829    1.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0819    1.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    2.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9634    2.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5659    1.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1370    2.2873    0.0000 C   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
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
  9 30  1  0  0  0  0
 21 31  2  0  0  0  0
 19 32  1  0  0  0  0
 11 33  1  1  0  0  0
 11 34  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
  7 37  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
  2 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0331479

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CC3=C(CC(=O)OC3(C)C)C(C)=C3C[C@@]4(C)C(=O)O[C@@]5([H])O[C@@H](C)[C@@](O)(O1)[C@](C(=O)OC)([C@@]45[H])[C@@]23C

> <INCHI_IDENTIFIER>
InChI=1S/C26H32O9/c1-11-13-8-17(27)35-22(3,4)14(13)9-16-24(6)15(11)10-23(5)18-19(33-20(23)28)32-12(2)26(30,34-16)25(18,24)21(29)31-7/h12,16,18-19,30H,8-10H2,1-7H3/t12-,16-,18+,19+,23+,24+,25-,26+/m0/s1

> <INCHI_KEY>
VKBVOVVIAJLSTD-LWCIQJLPSA-N

> <FORMULA>
C26H32O9

> <MOLECULAR_WEIGHT>
488.533

> <EXACT_MASS>
488.20463261

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
48.63680256652862

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (10S,12S,13S,15R,18R,19R,20S,21S)-12-hydroxy-2,7,7,13,18,21-hexamethyl-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.0^{3,8}.0^{10,21}.0^{12,20}.0^{15,19}]docosa-1,3(8)-diene-20-carboxylate

> <JCHEM_LOGP>
1.805221941333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.484740835622034

> <JCHEM_PKA_STRONGEST_BASIC>
-4.082589482594751

> <JCHEM_POLAR_SURFACE_AREA>
117.59

> <JCHEM_REFRACTIVITY>
119.9603

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl (10S,12S,13S,15R,18R,19R,20S,21S)-12-hydroxy-2,7,7,13,18,21-hexamethyl-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.0^{3,8}.0^{10,21}.0^{12,20}.0^{15,19}]docosa-1,3(8)-diene-20-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 30-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JAN-23         0                                  
HETATM    1  O   UNK     0      10.435   4.923   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       9.218   3.902   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       9.648   2.423   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       8.582   1.312   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.011   0.493   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.537  -0.330   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.086   1.679   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.198   0.421   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.227   0.290   0.000  0.00  0.00           C+0
HETATM   10  H   UNK     0       4.992   1.626   0.000  0.00  0.00           H+0
HETATM   11  C   UNK     0       3.632   1.478   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.189   0.939   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.025  -0.494   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.209  -2.248   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.616  -2.875   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.800  -0.839   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.001   1.918   0.000  0.00  0.00           C+0
HETATM   18  H   UNK     0       0.746   0.400   0.000  0.00  0.00           H+0
HETATM   19  C   UNK     0       1.256   3.437   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.961   5.018   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.110   4.149   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -1.209   3.070   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -0.442   1.380   0.000  0.00  0.00           C+0
HETATM   24  H   UNK     0      -1.969   1.180   0.000  0.00  0.00           H+0
HETATM   25  O   UNK     0      -0.696  -0.139   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.492  -1.119   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.301  -2.512   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.934  -0.580   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       1.542  -2.253   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       3.740  -1.012   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -1.050   5.542   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       2.698   3.976   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.821   2.618   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.886   2.996   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.232   3.744   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.532   5.323   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.656   3.158   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       7.722   4.270   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   38                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6    7                                             
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    4    8   37                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11   30                                             
CONECT   10    9                                                            
CONECT   11    9   12   33   34                                             
CONECT   12   11   13   17   28                                             
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13                                                            
CONECT   17   12   18   19   23                                             
CONECT   18   17                                                            
CONECT   19   17   20   21   32                                             
CONECT   20   19                                                            
CONECT   21   19   22   31                                                  
CONECT   22   21   23                                                       
CONECT   23   22   17   24   25                                             
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   12   29   30                                             
CONECT   29   28                                                            
CONECT   30   28    9                                                       
CONECT   31   21                                                            
CONECT   32   19   34                                                       
CONECT   33   11                                                            
CONECT   34   11   32   35                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37    7   35   38                                                  
CONECT   38   37    2                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   86    0
END

View in JSmol

Synonyms

Value	Source
Methyl (10S,12S,13S,15R,18R,19R,20S,21S)-12-hydroxy-2,7,7,13,18,21-hexamethyl-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.0,.0,.0,.0,]docosa-1,3(8)-diene-20-carboxylic acid	Generator

Chemical Formula

C₂₆H₃₂O₉

Average Mass

488.5330 Da

Monoisotopic Mass

488.20463 Da

IUPAC Name

methyl (10S,12S,13S,15R,18R,19R,20S,21S)-12-hydroxy-2,7,7,13,18,21-hexamethyl-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.0^{3,8}.0^{10,21}.0^{12,20}.0^{15,19}]docosa-1,3(8)-diene-20-carboxylate

Traditional Name

methyl (10S,12S,13S,15R,18R,19R,20S,21S)-12-hydroxy-2,7,7,13,18,21-hexamethyl-5,17-dioxo-6,11,14,16-tetraoxahexacyclo[16.3.1.0^{3,8}.0^{10,21}.0^{12,20}.0^{15,19}]docosa-1,3(8)-diene-20-carboxylate

CAS Registry Number

Not Available

SMILES

[H][C@@]12CC3=C(CC(=O)OC3(C)C)C(C)=C3C[C@@]4(C)C(=O)O[C@@]5([H])O[C@@H](C)[C@@](O)(O1)[C@](C(=O)OC)([C@@]45[H])[C@@]23C

InChI Identifier

InChI=1S/C26H32O9/c1-11-13-8-17(27)35-22(3,4)14(13)9-16-24(6)15(11)10-23(5)18-19(33-20(23)28)32-12(2)26(30,34-16)25(18,24)21(29)31-7/h12,16,18-19,30H,8-10H2,1-7H3/t12-,16-,18+,19+,23+,24+,25-,26+/m0/s1

InChI Key

VKBVOVVIAJLSTD-LWCIQJLPSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)	[email protected]	Not Available	Not Available	2024-05-11	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 500.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125.0, Chloroform-d, simulated)	[email protected]	Not Available	Not Available	2026-02-25	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Penicillium sp. SSW03M2 GY		Not Available
Penicillium sp. SSW03M2 GY		Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Diterpene lactones

Alternative Parents

Substituents

Diterpenoid
Diterpene lactone
Fatty alcohol ester
Tricarboxylic acid or derivatives
Furopyran
Fatty acid ester
Dihydropyranone
Fatty acyl
Pyran
Oxane
Hemiketal
Gamma butyrolactone
Methyl ester
Tetrahydrofuran
Furan
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
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
logP	1.81	ChemAxon
pKa (Strongest Acidic)	10.48	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	117.59 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	119.96 m³·mol⁻¹	ChemAxon
Polarizability	48.64 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	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

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

164619945

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Ku H, Lee Y, Lee S, Lee JW, Kang HS, Joo HS, Shim SH: New meroterpenoids from a soil-derived fungus Penicillium sp. SSW03M2 GY and their anti-virulence activity. J Antibiot (Tokyo). 2023 Feb;76(2):57-64. doi: 10.1038/s41429-022-00587-7. Epub 2022 Dec 16. [PubMed:36526742 ]
DOI: 10.1038/s41429-022-00587-7
PMID: 36526742

Showing NP-Card for Epi-miniolutelide C (NP0331479)

MOL for NP0331479 (Epi-miniolutelide C)

3D MOL for NP0331479 (Epi-miniolutelide C)

3D SDF for NP0331479 (Epi-miniolutelide C)

3D-SDF for NP0331479 (Epi-miniolutelide C)

PDB for NP0331479 (Epi-miniolutelide C)

3D PDB for NP0331479 (Epi-miniolutelide C)

SMILES for NP0331479 (Epi-miniolutelide C)

INCHI for NP0331479 (Epi-miniolutelide C)

Structure for NP0331479 (Epi-miniolutelide C)

3D Structure for NP0331479 (Epi-miniolutelide C)