NP-MRD: Showing NP-Card for goondomycin D (NP0333685)

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Record Information

Version

2.0

Created at

2024-08-01 00:25:45 UTC

Updated at

2025-06-11 02:39:41 UTC

NP-MRD ID

NP0333685

Natural Product DOI

https://doi.org/10.57994/3164

Secondary Accession Numbers

None

Natural Product Identification

Common Name

goondomycin D

Description

Goondomycin D belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Based on a literature review very few articles have been published on goondomycin D.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 04152302592D          

 39 41  0  0  1  0            999 V2000
    3.4297    0.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011    0.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0781   -0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6496   -0.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8248   -0.8437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3962   -1.5486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7925   -2.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4286   -1.5300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8571   -2.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8248   -0.8063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6496   -0.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962   -0.1014    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7925    0.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3639    1.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4609    1.3085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8571    0.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8894    2.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7142    1.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2087    1.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1428    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676    2.6811    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3961    3.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3638    1.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9353    1.2525    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3315    0.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9029   -0.1760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2009   -1.2356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6954   -1.6233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755   -1.2959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0228   -0.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1563    0.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105    1.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286   -0.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2992   -0.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1239   -0.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8706   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2668   -2.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458   -1.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6173   -2.2909    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 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
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  0  0  0  0
 26  3  1  0  0  0  0
 26 27  1  1  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  2  0  0  0  0
 25 31  2  0  0  0  0
 24 32  1  1  0  0  0
 12 33  1  1  0  0  0
  5 33  1  1  0  0  0
  2 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
  4 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END


  Mrv2104 04152302592D          

 39 41  0  0  1  0            999 V2000
    3.4297    0.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011    0.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0781   -0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6496   -0.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8248   -0.8437    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3962   -1.5486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7925   -2.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4286   -1.5300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8571   -2.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8248   -0.8063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6496   -0.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962   -0.1014    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7925    0.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3639    1.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4609    1.3085    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8571    0.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8894    2.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7142    1.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2087    1.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1428    2.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676    2.6811    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3961    3.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3638    1.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9353    1.2525    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3315    0.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9029   -0.1760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2009   -1.2356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6954   -1.6233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755   -1.2959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0228   -0.5034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1563    0.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1105    1.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286   -0.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2992   -0.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1239   -0.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8706   -1.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2668   -2.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458   -1.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6173   -2.2909    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 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
 15 14  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  0  0  0  0
 26  3  1  0  0  0  0
 26 27  1  1  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  2  0  0  0  0
 25 31  2  0  0  0  0
 24 32  1  1  0  0  0
 12 33  1  1  0  0  0
  5 33  1  1  0  0  0
  2 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
  4 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0333685

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1[C@H](O)[C@@H](C)[C@H]2O[C@@H]1CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)C(=O)[C@H](C1=C2C(=O)C(O)=C(C)C1=O)S(O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H42O9S/c1-13-8-9-20-17(5)24(31)19(7)28(38-20)21-22(25(32)18(6)26(33)27(21)34)29(39(35,36)37)23(30)16(4)12-15(3)11-14(2)10-13/h10,13,15-17,19-20,24,28-29,31,33H,8-9,11-12H2,1-7H3,(H,35,36,37)/b14-10+/t13-,15+,16-,17-,19+,20+,24-,28+,29-/m0/s1

> <INCHI_KEY>
WWBWSGSXASOYGB-UGIPUEJTSA-N

> <FORMULA>
C29H42O9S

> <MOLECULAR_WEIGHT>
566.71

> <EXACT_MASS>
566.254954106

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
58.82829048136334

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,8S,10S,12S,14E,16S,19R,20R,21S,22R)-4,21-dihydroxy-5,10,12,14,16,20,22-heptamethyl-3,6,9-trioxo-23-oxatricyclo[17.3.1.0^{2,7}]tricosa-2(7),4,14-triene-8-sulfonic acid

> <JCHEM_LOGP>
4.541716616000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.329053490905042

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.7157344139709962

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0008919239541214

> <JCHEM_POLAR_SURFACE_AREA>
155.26999999999998

> <JCHEM_REFRACTIVITY>
148.46079999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,8S,10S,12S,14E,16S,19R,20R,21S,22R)-4,21-dihydroxy-5,10,12,14,16,20,22-heptamethyl-3,6,9-trioxo-23-oxatricyclo[17.3.1.0^{2,7}]tricosa-2(7),4,14-triene-8-sulfonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-APR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-APR-23         0                                  
HETATM    1  O   UNK     0       6.402   1.614   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       5.602   0.299   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.879  -0.294   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.079  -1.610   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.540  -1.575   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.740  -2.891   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.479  -4.242   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.800  -2.856   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -1.600  -4.172   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -1.540  -1.505   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.079  -1.470   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.740  -0.189   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.479   1.162   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.679   2.477   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.860   2.443   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.600   1.092   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.660   3.759   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.200   3.724   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.123   3.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.000   5.040   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.539   5.005   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.339   6.321   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.279   3.654   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.479   2.338   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.219   0.987   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.419  -0.329   0.000  0.00  0.00           C+0
HETATM   27  S   UNK     0       5.975  -2.306   0.000  0.00  0.00           S+0
HETATM   28  O   UNK     0       6.898  -3.030   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.808  -2.419   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       7.509  -0.940   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       7.758   0.952   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       3.940   2.373   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       0.800  -0.224   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       6.158  -1.679   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.698  -1.714   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.358  -2.995   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       6.098  -4.346   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       3.819  -2.960   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       3.019  -4.276   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   34                                                  
CONECT    3    2    4   26                                                  
CONECT    4    3    5   38                                                  
CONECT    5    4    6   33                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   33                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25   32                                                  
CONECT   25   24   26   31                                                  
CONECT   26   25    3   27                                                  
CONECT   27   26   28   29   30                                             
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   27                                                            
CONECT   31   25                                                            
CONECT   32   24                                                            
CONECT   33   12    5                                                       
CONECT   34    2   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36    4   39                                                  
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₄₂O₉S

Average Mass

566.7100 Da

Monoisotopic Mass

566.25495 Da

IUPAC Name

(1R,8S,10S,12S,14E,16S,19R,20R,21S,22R)-4,21-dihydroxy-5,10,12,14,16,20,22-heptamethyl-3,6,9-trioxo-23-oxatricyclo[17.3.1.0^{2,7}]tricosa-2(7),4,14-triene-8-sulfonic acid

Traditional Name

(1R,8S,10S,12S,14E,16S,19R,20R,21S,22R)-4,21-dihydroxy-5,10,12,14,16,20,22-heptamethyl-3,6,9-trioxo-23-oxatricyclo[17.3.1.0^{2,7}]tricosa-2(7),4,14-triene-8-sulfonic acid

CAS Registry Number

Not Available

SMILES

C[C@@H]1[C@H](O)[C@@H](C)[C@H]2O[C@@H]1CC[C@H](C)\C=C(C)\C[C@@H](C)C[C@H](C)C(=O)[C@H](C1=C2C(=O)C(O)=C(C)C1=O)S(O)(=O)=O

InChI Identifier

InChI=1S/C29H42O9S/c1-13-8-9-20-17(5)24(31)19(7)28(38-20)21-22(25(32)18(6)26(33)27(21)34)29(39(35,36)37)23(30)16(4)12-15(3)11-14(2)10-13/h10,13,15-17,19-20,24,28-29,31,33H,8-9,11-12H2,1-7H3,(H,35,36,37)/b14-10+/t13-,15+,16-,17-,19+,20+,24-,28+,29-/m0/s1

InChI Key

WWBWSGSXASOYGB-UGIPUEJTSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	jianying.han@uq.edu.au	The University of Queensland	Jianying Han	2024-08-01	View Spectrum
ROESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	jianying.han@uq.edu.au	The University of Queensland	Jianying Han	2024-08-01	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	jianying.han@uq.edu.au	The University of Queensland	Jianying Han	2024-08-01	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	jianying.han@uq.edu.au	The University of Queensland	Jianying Han	2024-08-01	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)	jianying.han@uq.edu.au	The University of Queensland	Jianying Han	2024-08-01	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)	jianying.han@uq.edu.au	The University of Queensland	Jianying Han	2024-08-01	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental)	jianying.han@uq.edu.au	The University of Queensland	Jianying Han	2024-08-01	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Alpha-branched alpha,beta-unsaturated-ketone
Oxane
Vinylogous acid
Alpha,beta-unsaturated ketone
Sulfonyl
Organosulfonic acid
Organosulfonic acid or derivatives
Organic sulfonic acid or derivatives
Enone
Alpha-hydroxy ketone
Acryloyl-group
Cyclic ketone
Secondary alcohol
Ketone
Oxacycle
Organoheterocyclic compound
Ether
Dialkyl ether
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organosulfur compound
Organooxygen compound
Alcohol
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	4.54	ChemAxon
pKa (Strongest Acidic)	-0.72	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	155.27 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	148.46 m³·mol⁻¹	ChemAxon
Polarizability	58.83 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for goondomycin D (NP0333685)

MOL for NP0333685 (goondomycin D)

3D MOL for NP0333685 (goondomycin D)

3D SDF for NP0333685 (goondomycin D)

3D-SDF for NP0333685 (goondomycin D)

PDB for NP0333685 (goondomycin D)

3D PDB for NP0333685 (goondomycin D)

SMILES for NP0333685 (goondomycin D)

INCHI for NP0333685 (goondomycin D)

Structure for NP0333685 (goondomycin D)

3D Structure for NP0333685 (goondomycin D)