NP-MRD: Showing NP-Card for Ganoderic acid H (NP0048399)

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Record Information

Version

2.0

Created at

2022-03-17 20:55:52 UTC

Updated at

2022-03-17 20:55:52 UTC

NP-MRD ID

NP0048399

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Ganoderic acid H

Description

Ganoderic acid H, also known as ganoderate H, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Ganoderic acid H is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, ganoderic acid H has been detected, but not quantified in, mushrooms. Ganoderic acid H is found in Ganoderma lucidum . This could make ganoderic acid H a potential biomarker for the consumption of these foods.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241211232D          

 41 44  0  0  0  0            999 V2000
    0.6581    1.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4077    0.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8973   -0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4174   -0.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678   -0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830   -0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830   -1.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927   -2.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5010   -1.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2216   -2.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9285   -1.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9285   -0.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2216   -0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5010   -0.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927   -0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830    0.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678    0.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2936    1.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640    1.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9838    0.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    1.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3179    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1321    0.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4291    1.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1381    2.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0221   -0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5010   -0.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785   -1.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7428   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6824   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830    1.5622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6882    0.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5161    0.7288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520   -0.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773   -1.5293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6520   -2.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678   -2.1564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7982    1.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7982    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5133    1.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  2  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7 38  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  2  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 24 35  1  0  0  0  0
 32 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
M  END


  Mrv0541 02241211232D          

 41 44  0  0  0  0            999 V2000
    0.6581    1.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4077    0.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8973   -0.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4174   -0.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678   -0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830   -0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830   -1.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927   -2.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5010   -1.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2216   -2.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9285   -1.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9285   -0.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2216   -0.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5010   -0.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927   -0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7927    0.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830    0.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678    0.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2936    1.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4640    1.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9838    0.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    1.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3179    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1321    0.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4291    1.2983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1381    2.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0221   -0.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5010   -0.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785   -1.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7428   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6824   -2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0830    1.5622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6882    0.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5161    0.7288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520   -0.1128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773   -1.5293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6520   -2.1647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678   -2.1564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7982    1.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7982    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5133    1.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  2  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7 38  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  2  0  0  0  0
 17 18  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 24 35  1  0  0  0  0
 32 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0048399

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O

> <INCHI_IDENTIFIER>
InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-22,27,36H,9-14H2,1-8H3,(H,39,40)

> <INCHI_KEY>
YCXUCEXEMJPDRZ-UHFFFAOYSA-N

> <FORMULA>
C32H44O9

> <MOLECULAR_WEIGHT>
572.6864

> <EXACT_MASS>
572.298533006

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
61.08319481925747

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-[16-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid

> <ALOGPS_LOGP>
3.36

> <JCHEM_LOGP>
3.592876559666665

> <ALOGPS_LOGS>
-4.84

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
16.85279731382841

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.161468206245881

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7785803887303967

> <JCHEM_POLAR_SURFACE_AREA>
152.11

> <JCHEM_REFRACTIVITY>
148.59670000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.28e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-[16-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       1.228   2.567   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.761   1.101   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.675  -0.139   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.779  -1.391   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.687  -0.929   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.022  -1.699   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.022  -3.245   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -3.346  -4.010   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.669  -3.245   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.014  -4.025   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -7.333  -3.263   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -7.333  -1.740   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.014  -0.978   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.669  -1.722   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.346  -0.929   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.346   0.598   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.022   1.360   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.687   0.614   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.548   2.149   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.733   2.898   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.703   1.702   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.223   1.943   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.193   0.744   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.713   0.986   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.268   2.423   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.258   3.766   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.641  -0.693   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.669  -0.182   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.520  -2.457   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -6.987  -5.227   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -5.007  -5.227   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -2.022   2.916   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       3.151   0.264   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -4.697   1.360   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       8.684  -0.211   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       1.264  -2.855   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -8.684  -4.041   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -0.687  -4.025   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -3.357   3.686   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -3.357   5.227   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -4.691   2.916   0.000  0.00  0.00           C+0
CONECT    1    2   20   26                                                  
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   36                                                  
CONECT    5    4    6   18   29                                             
CONECT    6    5    7   15                                                  
CONECT    7    6    8   38                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11   30   31                                             
CONECT   11   10   12   37                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14    9   13   15   28                                             
CONECT   15    6   14   16                                                  
CONECT   16   15   17   34                                                  
CONECT   17   16   18   32                                                  
CONECT   18    2    5   17   19                                             
CONECT   19   18                                                            
CONECT   20    1   21                                                       
CONECT   21   20   22   33                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   27                                                  
CONECT   24   23   25   35                                                  
CONECT   25   24                                                            
CONECT   26    1                                                            
CONECT   27   23                                                            
CONECT   28   14                                                            
CONECT   29    5                                                            
CONECT   30   10                                                            
CONECT   31   10                                                            
CONECT   32   17   39                                                       
CONECT   33   21                                                            
CONECT   34   16                                                            
CONECT   35   24                                                            
CONECT   36    4                                                            
CONECT   37   11                                                            
CONECT   38    7                                                            
CONECT   39   32   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Value	Source
Ganoderate H	Generator
12-Acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-Oic acid	HMDB
3beta-Hydroxy-7,11,15,23-tetraoxo-12beta-acetoxy-5alpha-lanost-8-en-26-Oic acid	HMDB
6-[16-(Acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoate	Generator
Ganoderic acid H	MeSH

Chemical Formula

C₃₂H₄₄O₉

Average Mass

572.6864 Da

Monoisotopic Mass

572.29853 Da

IUPAC Name

6-[16-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid

Traditional Name

6-[16-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid

CAS Registry Number

98665-19-1

SMILES

CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(OC(C)=O)C12C)C1(C)CCC(O)C(C)(C)C1CC3=O

InChI Identifier

InChI=1S/C32H44O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21-22,27,36H,9-14H2,1-8H3,(H,39,40)

InChI Key

YCXUCEXEMJPDRZ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Agaricus bisporus	FooDB	Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...
Ganoderma lucidum	Fungi	KNApSAcK
Pleurotus ostreatus	FooDB	Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...

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

Not Available

Substituents

Not Available

Molecular Framework

Aliphatic homopolycyclic 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	3.36	ALOGPS
logP	3.59	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	4.16	ChemAxon
pKa (Strongest Basic)	-0.78	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	152.11 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	148.6 m³·mol⁻¹	ChemAxon
Polarizability	61.08 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0035987

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB014793

KNApSAcK ID

C00023827

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

73657194

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Ganoderic acid H (NP0048399)

MOL for NP0048399 (Ganoderic acid H)

3D MOL for NP0048399 (Ganoderic acid H)

3D SDF for NP0048399 (Ganoderic acid H)

3D-SDF for NP0048399 (Ganoderic acid H)

PDB for NP0048399 (Ganoderic acid H)

3D PDB for NP0048399 (Ganoderic acid H)

SMILES for NP0048399 (Ganoderic acid H)

INCHI for NP0048399 (Ganoderic acid H)

Structure for NP0048399 (Ganoderic acid H)

3D Structure for NP0048399 (Ganoderic acid H)