NP-MRD: Showing NP-Card for (24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid (NP0048228)

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Record Information

Version

2.0

Created at

2022-03-17 20:53:09 UTC

Updated at

2022-03-17 20:53:09 UTC

NP-MRD ID

NP0048228

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid

Description

(+)-1,18-Nonacosanediol belongs to the class of organic compounds known as fatty alcohols. (24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid is found in Ganoderma lucidum . These are aliphatic alcohols consisting of a chain of a least six carbon atoms (+)-1,18-Nonacosanediol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05061308252D          

 38 41  0  0  0  0            999 V2000
    2.3858    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1230    3.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440   -3.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7787   -2.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7762   -2.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6900    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1741    0.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0119   -1.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9067   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7188   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8779    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3142   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5021   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0658    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5139    1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3185    2.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8121    3.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9172   -2.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0076    1.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1582   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6264   -1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094   -0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2506   -1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5945   -0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9949    3.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0627   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9703   -0.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5339   -0.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8142   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6179   -2.3045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1903    1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4067   -1.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6840    2.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4885    3.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897   -2.3510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 18  1  1  0  0  0  0
 18 15  1  0  0  0  0
 19  2  1  0  0  0  0
 19 16  2  0  0  0  0
 20  3  1  0  0  0  0
 21 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 11  2  0  0  0  0
 23  9  2  0  0  0  0
 23 22  1  0  0  0  0
 24 17  1  0  0  0  0
 24 18  1  0  0  0  0
 25 10  1  0  0  0  0
 26 12  1  0  0  0  0
 27 17  1  0  0  0  0
 28 19  1  0  0  0  0
 29  4  1  0  0  0  0
 29  5  1  0  0  0  0
 29 25  1  0  0  0  0
 29 26  1  0  0  0  0
 30  6  1  0  0  0  0
 30 13  1  0  0  0  0
 30 22  1  0  0  0  0
 30 25  1  0  0  0  0
 31  7  1  0  0  0  0
 31 14  1  0  0  0  0
 31 24  1  0  0  0  0
 32  8  1  0  0  0  0
 32 23  1  0  0  0  0
 32 27  1  0  0  0  0
 32 31  1  0  0  0  0
 33 20  2  0  0  0  0
 34 21  2  0  0  0  0
 35 26  1  0  0  0  0
 36 28  2  0  0  0  0
 37 28  1  0  0  0  0
 38 20  1  0  0  0  0
 38 27  1  0  0  0  0
M  END


  Mrv0541 05061308252D          

 38 41  0  0  0  0            999 V2000
    2.3858    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1230    3.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440   -3.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7787   -2.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7762   -2.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6900    0.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1741    0.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0119   -1.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9067   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7188   -2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8779    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3142   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5021   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0658    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5139    1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3185    2.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030    0.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8121    3.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9172   -2.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0076    1.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1582   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6264   -1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094   -0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2506   -1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5945   -0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -1.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9949    3.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0627   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9703   -0.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5339   -0.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8142   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6179   -2.3045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1903    1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4067   -1.1154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6840    2.3344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4885    3.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1897   -2.3510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 18  1  1  0  0  0  0
 18 15  1  0  0  0  0
 19  2  1  0  0  0  0
 19 16  2  0  0  0  0
 20  3  1  0  0  0  0
 21 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 11  2  0  0  0  0
 23  9  2  0  0  0  0
 23 22  1  0  0  0  0
 24 17  1  0  0  0  0
 24 18  1  0  0  0  0
 25 10  1  0  0  0  0
 26 12  1  0  0  0  0
 27 17  1  0  0  0  0
 28 19  1  0  0  0  0
 29  4  1  0  0  0  0
 29  5  1  0  0  0  0
 29 25  1  0  0  0  0
 29 26  1  0  0  0  0
 30  6  1  0  0  0  0
 30 13  1  0  0  0  0
 30 22  1  0  0  0  0
 30 25  1  0  0  0  0
 31  7  1  0  0  0  0
 31 14  1  0  0  0  0
 31 24  1  0  0  0  0
 32  8  1  0  0  0  0
 32 23  1  0  0  0  0
 32 27  1  0  0  0  0
 32 31  1  0  0  0  0
 33 20  2  0  0  0  0
 34 21  2  0  0  0  0
 35 26  1  0  0  0  0
 36 28  2  0  0  0  0
 37 28  1  0  0  0  0
 38 20  1  0  0  0  0
 38 27  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0048228

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(CC(=O)\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C

> <INCHI_IDENTIFIER>
InChI=1S/C32H46O6/c1-18(15-21(34)16-19(2)28(36)37)24-17-27(38-20(3)33)32(8)23-9-10-25-29(4,5)26(35)12-13-30(25,6)22(23)11-14-31(24,32)7/h9,11,16,18,24-27,35H,10,12-15,17H2,1-8H3,(H,36,37)/b19-16-

> <INCHI_KEY>
LFZXDPZHYHAKCQ-MNDPQUGUSA-N

> <FORMULA>
C32H46O6

> <MOLECULAR_WEIGHT>
526.704

> <EXACT_MASS>
526.329439204

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
59.356943865980504

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2Z)-6-[12-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-2-methyl-4-oxohept-2-enoic acid

> <ALOGPS_LOGP>
6.23

> <JCHEM_LOGP>
4.9272852276666645

> <ALOGPS_LOGS>
-5.53

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
19.618794118226784

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3132175565543673

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7785740155655704

> <JCHEM_POLAR_SURFACE_AREA>
100.9

> <JCHEM_REFRACTIVITY>
148.6636

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.57e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2Z)-6-[12-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-2-methyl-4-oxohept-2-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       4.453   0.499   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.830   7.421   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.229  -6.654   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      14.520  -4.434   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      16.382  -3.762   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.488   0.179   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.792   0.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.356  -3.399   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.026  -3.624   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.542  -3.895   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.972   0.451   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      15.520  -0.363   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.004  -0.092   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.456   0.722   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.559   2.137   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.195   4.779   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.496  -1.985   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.979   0.710   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.249   5.995   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.179  -5.115   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.614   3.352   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      11.495  -0.998   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.503  -2.175   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.924  -0.506   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      13.534  -2.717   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      16.043  -1.811   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.771  -2.849   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.724   5.784   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      15.050  -2.988   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      13.011  -1.269   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.463  -0.456   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.987  -1.904   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      10.487  -4.302   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       4.089   3.142   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      17.559  -2.082   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       3.143   4.358   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       2.779   7.000   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       7.821  -4.389   0.000  0.00  0.00           O+0
CONECT    1   18                                                            
CONECT    2   19                                                            
CONECT    3   20                                                            
CONECT    4   29                                                            
CONECT    5   29                                                            
CONECT    6   30                                                            
CONECT    7   31                                                            
CONECT    8   32                                                            
CONECT    9   10   23                                                       
CONECT   10    9   25                                                       
CONECT   11   14   22                                                       
CONECT   12   13   26                                                       
CONECT   13   12   30                                                       
CONECT   14   11   31                                                       
CONECT   15   18   21                                                       
CONECT   16   19   21                                                       
CONECT   17   24   27                                                       
CONECT   18    1   15   24                                                  
CONECT   19    2   16   28                                                  
CONECT   20    3   33   38                                                  
CONECT   21   15   16   34                                                  
CONECT   22   11   23   30                                                  
CONECT   23    9   22   32                                                  
CONECT   24   17   18   31                                                  
CONECT   25   10   29   30                                                  
CONECT   26   12   29   35                                                  
CONECT   27   17   32   38                                                  
CONECT   28   19   36   37                                                  
CONECT   29    4    5   25   26                                             
CONECT   30    6   13   22   25                                             
CONECT   31    7   14   24   32                                             
CONECT   32    8   23   27   31                                             
CONECT   33   20                                                            
CONECT   34   21                                                            
CONECT   35   26                                                            
CONECT   36   28                                                            
CONECT   37   28                                                            
CONECT   38   20   27                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END

View in JSmol

Synonyms

Value	Source
15a-Acetoxy-3a-hydroxy-23-oxo-7,9(11),24E-lanostatrien-26-Oic acid	HMDB
(2Z)-6-[12-(Acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-2-methyl-4-oxohept-2-enoate	Generator
(24E)-15a-Acetoxy-3a-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-Oate	Generator
(24E)-15a-Acetoxy-3a-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-Oic acid	Generator
(24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-Oate	Generator
(24E)-15Α-acetoxy-3α-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-Oate	Generator
(24E)-15Α-acetoxy-3α-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-Oic acid	Generator

Chemical Formula

C₃₂H₄₆O₆

Average Mass

526.7040 Da

Monoisotopic Mass

526.32944 Da

IUPAC Name

(2Z)-6-[12-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-2-methyl-4-oxohept-2-enoic acid

Traditional Name

(2Z)-6-[12-(acetyloxy)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(17),9-dien-14-yl]-2-methyl-4-oxohept-2-enoic acid

CAS Registry Number

117383-35-4

SMILES

CC(CC(=O)\C=C(\C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3=CCC12C

InChI Identifier

InChI=1S/C32H46O6/c1-18(15-21(34)16-19(2)28(36)37)24-17-27(38-20(3)33)32(8)23-9-10-25-29(4,5)26(35)12-13-30(25,6)22(23)11-14-31(24,32)7/h9,11,16,18,24-27,35H,10,12-15,17H2,1-8H3,(H,36,37)/b19-16-

InChI Key

LFZXDPZHYHAKCQ-MNDPQUGUSA-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 fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Fatty alcohols

Alternative Parents

Substituents

Fatty alcohol
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	6.23	ALOGPS
logP	4.93	ChemAxon
logS	-5.5	ALOGPS
pKa (Strongest Acidic)	3.31	ChemAxon
pKa (Strongest Basic)	-0.78	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	100.9 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	148.66 m³·mol⁻¹	ChemAxon
Polarizability	59.36 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

HMDB0041004

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB020864

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

86172616

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for (24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid (NP0048228)

MOL for NP0048228 ((24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid)

3D MOL for NP0048228 ((24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid)

3D SDF for NP0048228 ((24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid)

3D-SDF for NP0048228 ((24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid)

PDB for NP0048228 ((24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid)

3D PDB for NP0048228 ((24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid)

SMILES for NP0048228 ((24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid)

INCHI for NP0048228 ((24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid)

Structure for NP0048228 ((24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid)

3D Structure for NP0048228 ((24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid)