NP-MRD: Showing NP-Card for Oryzanol C (NP0335063)

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Record Information

Version

2.0

Created at

2024-09-10 23:43:51 UTC

Updated at

2024-09-10 23:43:52 UTC

NP-MRD ID

NP0335063

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Oryzanol C

Description

Oryzanol C was first documented in 2023 (PMID: 37982812). Based on a literature review very few articles have been published on Oryzanol C.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262302162D          

 45 50  0  0  0  0            999 V2000
    8.0438    3.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9157    4.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0311    2.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685    3.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9938    0.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    2.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7705    0.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1530    0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030    3.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3966    2.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8439    2.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    2.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6561    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636    0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8758    0.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9682    1.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3024    1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5318    2.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    0.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2803    2.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    2.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    2.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5924    1.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0924    2.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2266    3.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7202    3.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794    2.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3121    2.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0730    2.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9364    2.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4045    1.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318    1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561    1.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8121    1.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1561    1.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2803    0.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485    2.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9682    1.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8121    1.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    1.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7485    1.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8758    2.7662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6848    0.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242    1.3596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0  0  0  0
 14 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17 13  2  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 23 22  1  0  0  0  0
 26  1  1  0  0  0  0
 26  2  1  0  0  0  0
 27  3  2  0  0  0  0
 27 10  1  0  0  0  0
 27 26  1  0  0  0  0
 28  4  1  0  0  0  0
 28 11  1  0  0  0  0
 29 12  1  0  0  0  0
 29 13  1  0  0  0  0
 29 24  2  0  0  0  0
 30 18  1  0  0  0  0
 30 28  1  0  0  0  0
 31 14  1  0  0  0  0
 32 24  1  0  0  0  0
 32 31  2  0  0  0  0
 33 15  1  0  0  0  0
 34 16  1  0  0  0  0
 35 19  1  0  0  0  0
 36 17  1  0  0  0  0
 37  5  1  0  0  0  0
 37  6  1  0  0  0  0
 37 33  1  0  0  0  0
 37 35  1  0  0  0  0
 38  7  1  0  0  0  0
 38 22  1  0  0  0  0
 38 30  1  0  0  0  0
 39  8  1  0  0  0  0
 39 20  1  0  0  0  0
 39 34  1  0  0  0  0
 39 38  1  0  0  0  0
 40 21  1  0  0  0  0
 40 25  1  0  0  0  0
 40 33  1  0  0  0  0
 41 23  1  0  0  0  0
 41 25  1  0  0  0  0
 41 34  1  0  0  0  0
 41 40  1  0  0  0  0
 42 31  1  0  0  0  0
 43 36  2  0  0  0  0
 44  9  1  0  0  0  0
 44 32  1  0  0  0  0
 45 35  1  0  0  0  0
 45 36  1  0  0  0  0
M  END


  Mrv2104 05262302162D          

 45 50  0  0  0  0            999 V2000
    8.0438    3.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9157    4.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0311    2.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685    3.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0037    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9938    0.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    2.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7705    0.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1530    0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030    3.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3966    2.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8439    2.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000    2.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6561    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636    0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8758    0.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9682    1.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3024    1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5318    2.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    0.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2803    2.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    2.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    2.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5924    1.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0924    2.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2266    3.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7202    3.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794    2.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3121    2.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0730    2.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9364    2.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4045    1.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318    1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561    1.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8121    1.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1561    1.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2803    0.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485    2.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9682    1.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8121    1.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    1.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7485    1.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8758    2.7662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6848    0.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242    1.3596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0  0  0  0
 14 12  2  0  0  0  0
 16 15  1  0  0  0  0
 17 13  2  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 23 22  1  0  0  0  0
 26  1  1  0  0  0  0
 26  2  1  0  0  0  0
 27  3  2  0  0  0  0
 27 10  1  0  0  0  0
 27 26  1  0  0  0  0
 28  4  1  0  0  0  0
 28 11  1  0  0  0  0
 29 12  1  0  0  0  0
 29 13  1  0  0  0  0
 29 24  2  0  0  0  0
 30 18  1  0  0  0  0
 30 28  1  0  0  0  0
 31 14  1  0  0  0  0
 32 24  1  0  0  0  0
 32 31  2  0  0  0  0
 33 15  1  0  0  0  0
 34 16  1  0  0  0  0
 35 19  1  0  0  0  0
 36 17  1  0  0  0  0
 37  5  1  0  0  0  0
 37  6  1  0  0  0  0
 37 33  1  0  0  0  0
 37 35  1  0  0  0  0
 38  7  1  0  0  0  0
 38 22  1  0  0  0  0
 38 30  1  0  0  0  0
 39  8  1  0  0  0  0
 39 20  1  0  0  0  0
 39 34  1  0  0  0  0
 39 38  1  0  0  0  0
 40 21  1  0  0  0  0
 40 25  1  0  0  0  0
 40 33  1  0  0  0  0
 41 23  1  0  0  0  0
 41 25  1  0  0  0  0
 41 34  1  0  0  0  0
 41 40  1  0  0  0  0
 42 31  1  0  0  0  0
 43 36  2  0  0  0  0
 44  9  1  0  0  0  0
 44 32  1  0  0  0  0
 45 35  1  0  0  0  0
 45 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0335063

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCC(=C)C(C)C)=C1

> <INCHI_IDENTIFIER>
InChI=1/C41H60O4/c1-26(2)27(3)10-11-28(4)30-18-20-39(8)34-16-15-33-37(5,6)35(19-21-40(33)25-41(34,40)23-22-38(30,39)7)45-36(43)17-13-29-12-14-31(42)32(24-29)44-9/h12-14,17,24,26,28,30,33-35,42H,3,10-11,15-16,18-23,25H2,1-2,4-9H3/b17-13+

> <INCHI_KEY>
JBSUVXVGZSMGDJ-GHRIWEEINA-N

> <FORMULA>
C41H60O4

> <MOLECULAR_WEIGHT>
616.927

> <EXACT_MASS>
616.449160412

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
105

> <JCHEM_AVERAGE_POLARIZABILITY>
76.06819837721395

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

> <JCHEM_LOGP>
10.465269276666668

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.867760967411257

> <JCHEM_PKA_STRONGEST_BASIC>
-4.888815245557855

> <JCHEM_POLAR_SURFACE_AREA>
55.760000000000005

> <JCHEM_REFRACTIVITY>
183.52110000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0      15.015   7.130   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.909   8.767   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.125   4.698   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.968   6.757   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.007   0.186   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.855   0.858   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.735   5.550   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.172   1.221   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -9.619   0.005   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.019   6.335   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.074   5.119   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -9.042   5.528   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.533   4.621   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -10.558   5.257   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.985   0.725   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.501   0.996   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.541   3.444   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.031   2.635   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.993   4.257   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.756   1.771   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.523   4.528   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.071   5.342   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.555   5.071   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.572   2.902   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.039   4.799   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      13.490   7.340   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.544   6.125   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.548   5.330   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -8.049   4.350   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.603   4.114   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -11.081   3.808   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -10.088   2.631   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.993   1.903   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.025   2.445   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.516   2.809   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -4.025   3.715   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -0.523   1.632   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.064   4.164   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.541   2.716   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.516   3.351   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.032   3.622   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0     -12.597   3.537   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -3.501   5.164   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0     -10.612   1.183   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      -3.032   2.538   0.000  0.00  0.00           O+0
CONECT    1   26                                                            
CONECT    2   26                                                            
CONECT    3   27                                                            
CONECT    4   28                                                            
CONECT    5   37                                                            
CONECT    6   37                                                            
CONECT    7   38                                                            
CONECT    8   39                                                            
CONECT    9   44                                                            
CONECT   10   11   27                                                       
CONECT   11   10   28                                                       
CONECT   12   14   29                                                       
CONECT   13   17   29                                                       
CONECT   14   12   31                                                       
CONECT   15   16   33                                                       
CONECT   16   15   34                                                       
CONECT   17   13   36                                                       
CONECT   18   20   30                                                       
CONECT   19   21   35                                                       
CONECT   20   18   39                                                       
CONECT   21   19   40                                                       
CONECT   22   23   38                                                       
CONECT   23   22   41                                                       
CONECT   24   29   32                                                       
CONECT   25   40   41                                                       
CONECT   26    1    2   27                                                  
CONECT   27    3   10   26                                                  
CONECT   28    4   11   30                                                  
CONECT   29   12   13   24                                                  
CONECT   30   18   28   38                                                  
CONECT   31   14   32   42                                                  
CONECT   32   24   31   44                                                  
CONECT   33   15   37   40                                                  
CONECT   34   16   39   41                                                  
CONECT   35   19   37   45                                                  
CONECT   36   17   43   45                                                  
CONECT   37    5    6   33   35                                             
CONECT   38    7   22   30   39                                             
CONECT   39    8   20   34   38                                             
CONECT   40   21   25   33   41                                             
CONECT   41   23   25   34   40                                             
CONECT   42   31                                                            
CONECT   43   36                                                            
CONECT   44    9   32                                                       
CONECT   45   35   36                                                       
MASTER        0    0    0    0    0    0    0    0   45    0  100    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₁H₆₀O₄

Average Mass

616.9270 Da

Monoisotopic Mass

616.44916 Da

IUPAC Name

7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Traditional Name

7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

COC1=C(O)C=CC(\C=C\C(=O)OC2CCC34CC33CCC5(C)C(CCC5(C)C3CCC4C2(C)C)C(C)CCC(=C)C(C)C)=C1

InChI Identifier

InChI=1/C41H60O4/c1-26(2)27(3)10-11-28(4)30-18-20-39(8)34-16-15-33-37(5,6)35(19-21-40(33)25-41(34,40)23-22-38(30,39)7)45-36(43)17-13-29-12-14-31(42)32(24-29)44-9/h12-14,17,24,26,28,30,33-35,42H,3,10-11,15-16,18-23,25H2,1-2,4-9H3/b17-13+

InChI Key

JBSUVXVGZSMGDJ-GHRIWEEINA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

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
logP	10.47	ChemAxon
pKa (Strongest Acidic)	9.87	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	55.76 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	183.52 m³·mol⁻¹	ChemAxon
Polarizability	76.07 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

Γ-Oryzanol

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Yang X, Zhu A, Li X, He S, Zhu Y, Anyan W, Qin L, Zeng H: Effects of extracted oil of fermented Tartary buckwheat on lipid-lowering, inflammation modulation, and gut microbial regulation in mice. Food Funct. 2023 Dec 11;14(24):10814-10828. doi: 10.1039/d3fo04117d. [PubMed:37982812 ]

Showing NP-Card for Oryzanol C (NP0335063)

MOL for NP0335063 (Oryzanol C)

3D MOL for NP0335063 (Oryzanol C)

3D SDF for NP0335063 (Oryzanol C)

3D-SDF for NP0335063 (Oryzanol C)

PDB for NP0335063 (Oryzanol C)

3D PDB for NP0335063 (Oryzanol C)

SMILES for NP0335063 (Oryzanol C)

INCHI for NP0335063 (Oryzanol C)

Structure for NP0335063 (Oryzanol C)

3D Structure for NP0335063 (Oryzanol C)