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Showing NP-Card for 1-Hydroxy-2-naphthoic acid (NP0002851)

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Record Information
Version1.0
Created at2020-11-23 19:42:01 UTC
Updated at2021-08-19 23:59:28 UTC
NP-MRD IDNP0002851
Secondary Accession NumbersNone
Natural Product Identification
Common Name1-Hydroxy-2-naphthoic acid
Provided ByBMRBBMRB logo
Description1-Hydroxy-2-naphthoic acid, also known as 1-naphthol-2-carboxylic acid or 2-carboxy-1-naphthol, belongs to the class of organic compounds known as naphthalenecarboxylic acids. Naphthalenecarboxylic acids are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. 1-Hydroxy-2-naphthoic acid exists in all living organisms, ranging from bacteria to humans. 1-Hydroxy-2-naphthoic acid is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. 1-Hydroxy-2-naphthoic acid is found in Pogostemon cablin. It was first documented in 1991 (PMID: 1650428). Based on a literature review a significant number of articles have been published on 1-Hydroxy-2-naphthoic acid (PMID: 17984079) (PMID: 17305248) (PMID: 23539472) (PMID: 23582404).
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0002851 (1-Hydroxy-2-naphthoic acid)


     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -4.1954    1.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2720    0.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8340   -1.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7865    0.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2245    1.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2609    2.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1843    0.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6697    1.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931   -0.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311   -1.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5457   -1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6223   -0.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8631   -0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4251   -2.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3194   -1.3435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1480    3.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2317    2.4813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0785    0.1172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9545   -2.6643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9837   -3.0817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9105   -2.3169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  4  1  0
 12  7  1  0
  3 15  1  0
  5 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
M  END
Download

3D MOL for NP0002851 (1-Hydroxy-2-naphthoic acid)

NP0002851
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.7479    0.7939    0.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1928   -0.3049   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9388   -1.4370   -0.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293   -0.4343   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1071   -1.6315   -0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2662   -1.7316   -0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0772   -0.6310   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517   -0.7289   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2720    0.3409    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6789    1.5564    0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872    1.6788    0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4678    0.5924    0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9169    0.6813    0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5559    1.8574    0.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811   -1.7621    0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322   -2.5010   -0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747   -2.6633   -0.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9228   -1.6861   -0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3516    0.2330    0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2985    2.4174    0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8446    2.6456    0.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910    2.7148    0.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  4  1  0
 12  7  1  0
  3 15  1  0
  5 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
M  END
Download

3D SDF for NP0002851 (1-Hydroxy-2-naphthoic acid)


     RDKit          2D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -4.1954    1.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2720    0.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8340   -1.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7865    0.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2245    1.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2609    2.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1843    0.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6697    1.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931   -0.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311   -1.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5457   -1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6223   -0.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8631   -0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4251   -2.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3194   -1.3435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1480    3.0374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2317    2.4813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0785    0.1172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9545   -2.6643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9837   -3.0817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9105   -2.3169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  4  1  0
 12  7  1  0
  3 15  1  0
  5 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
M  END
> <DATABASE_ID>
NP0002851

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC(=O)C1=C(O)C2=CC=CC=C2C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)

> <INCHI_KEY>
SJJCQDRGABAVBB-UHFFFAOYSA-N

> <FORMULA>
C11H8O3

> <MOLECULAR_WEIGHT>
188.1794

> <EXACT_MASS>
188.047344122

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
18.667900000023636

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-hydroxynaphthalene-2-carboxylic acid

> <ALOGPS_LOGP>
3.23

> <JCHEM_LOGP>
2.9667401589999995

> <ALOGPS_LOGS>
-2.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.30218256948244

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7015777762077717

> <JCHEM_PKA_STRONGEST_BASIC>
-6.406277316213726

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
51.74530000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.24e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-hydroxy-2-naphthoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0002851 (1-Hydroxy-2-naphthoic acid)

NP0002851
     RDKit          3D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.7479    0.7939    0.0750 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1928   -0.3049   -0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9388   -1.4370   -0.3956 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293   -0.4343   -0.1498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1071   -1.6315   -0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2662   -1.7316   -0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0772   -0.6310   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517   -0.7289   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2720    0.3409    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6789    1.5564    0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2872    1.6788    0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4678    0.5924    0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9169    0.6813    0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5559    1.8574    0.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6811   -1.7621    0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7322   -2.5010   -0.5829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7747   -2.6633   -0.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9228   -1.6861   -0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3516    0.2330    0.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2985    2.4174    0.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8446    2.6456    0.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910    2.7148    0.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13  4  1  0
 12  7  1  0
  3 15  1  0
  5 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
M  END
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PDB for NP0002851 (1-Hydroxy-2-naphthoic acid)

HEADER    PROTEIN                                 03-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    7                                                       
CONECT    4    2    8                                                       
CONECT    5    6    7                                                       
CONECT    6    5    9                                                       
CONECT    7    3    5    8                                                  
CONECT    8    4    7   10                                                  
CONECT    9    6   10   11                                                  
CONECT   10    8    9   12                                                  
CONECT   11    9   13   14                                                  
CONECT   12   10                                                            
CONECT   13   11                                                            
CONECT   14   11                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   30    0
END
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3D PDB for NP0002851 (1-Hydroxy-2-naphthoic acid)

COMPND    NP0002851
HETATM    1  O1  UNL     1       3.748   0.794   0.075  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.193  -0.305  -0.146  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.939  -1.437  -0.396  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.729  -0.434  -0.150  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.107  -1.632  -0.391  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.266  -1.732  -0.389  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.077  -0.631  -0.146  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.452  -0.729  -0.144  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.272   0.341   0.093  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.679   1.556   0.339  1.00  0.00           C  
HETATM   11  C9  UNL     1      -1.287   1.679   0.342  1.00  0.00           C  
HETATM   12  C10 UNL     1      -0.468   0.592   0.101  1.00  0.00           C  
HETATM   13  C11 UNL     1       0.917   0.681   0.097  1.00  0.00           C  
HETATM   14  O3  UNL     1       1.556   1.857   0.333  1.00  0.00           O  
HETATM   15  H1  UNL     1       4.681  -1.762   0.203  1.00  0.00           H  
HETATM   16  H2  UNL     1       1.732  -2.501  -0.583  1.00  0.00           H  
HETATM   17  H3  UNL     1      -0.775  -2.663  -0.576  1.00  0.00           H  
HETATM   18  H4  UNL     1      -2.923  -1.686  -0.337  1.00  0.00           H  
HETATM   19  H5  UNL     1      -4.352   0.233   0.088  1.00  0.00           H  
HETATM   20  H6  UNL     1      -3.298   2.417   0.529  1.00  0.00           H  
HETATM   21  H7  UNL     1      -0.845   2.646   0.537  1.00  0.00           H  
HETATM   22  H8  UNL     1       1.091   2.715   0.520  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   15
CONECT    4    5    5   13
CONECT    5    6   16
CONECT    6    7    7   17
CONECT    7    8   12
CONECT    8    9    9   18
CONECT    9   10   19
CONECT   10   11   11   20
CONECT   11   12   21
CONECT   12   13   13
CONECT   13   14
CONECT   14   22
END
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SMILES for NP0002851 (1-Hydroxy-2-naphthoic acid)

OC(=O)C1=C(O)C2=CC=CC=C2C=C1
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INCHI for NP0002851 (1-Hydroxy-2-naphthoic acid)

InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)
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Synonyms
ValueSource
1-Hydroxy-2-naphthalenecarboxylic acidChEBI
1-Naphthol-2-carboxylic acidChEBI
2-Carboxy-1-naphtholChEBI
1-Hydroxy-2-naphthalenecarboxylateGenerator
1-Naphthol-2-carboxylateGenerator
1-Hydroxy-2-naphthoateGenerator
1-Hydroxy-2-naphthoic acid, monosodium saltHMDB
Chemical FormulaC11H8O3
Average Mass188.1794 Da
Monoisotopic Mass188.04734 Da
IUPAC Name1-hydroxynaphthalene-2-carboxylic acid
Traditional Name1-hydroxy-2-naphthoic acid
CAS Registry NumberNot Available
SMILES
OC(=O)C1=C(O)C2=CC=CC=C2C=C1
InChI Identifier
InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)
InChI KeySJJCQDRGABAVBB-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 500 MHz, ethanol, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 500 MHz, ethanol, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 500 MHz, ethanol, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Pogostemon cablinLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as naphthalenecarboxylic acids. Naphthalenecarboxylic acids are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
KingdomOrganic compounds
Super ClassBenzenoids
ClassNaphthalenes
Sub ClassNaphthalenecarboxylic acids and derivatives
Direct ParentNaphthalenecarboxylic acids
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting Point195.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Boiling Point367.75 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility228.7 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP3.196 (est)The Good Scents Company Information System
Predicted Properties
PropertyValueSource
logP3.23ALOGPS
logP2.97ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)2.7ChemAxon
pKa (Strongest Basic)-6.4ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area57.53 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity51.75 m³·mol⁻¹ChemAxon
Polarizability18.67 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0243892
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID6583
KEGG Compound IDC03203
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6844
PDB IDNot Available
ChEBI ID36108
Good Scents IDrw1154481
References
General References
  1. Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
  2. Varga JM, Kalchschmid G, Klein GF, Fritsch P: Mechanism of allergic cross-reactions--I. Multispecific binding of ligands to a mouse monoclonal anti-DNP IgE antibody. Mol Immunol. 1991 Jun;28(6):641-54. doi: 10.1016/0161-5890(91)90133-5. [PubMed:1650428 ]
  3. Donati E, Polcaro CM: A study of the interaction between humic acids and acidic metabolites of phenanthrene by capillary electrophoresis. J Sep Sci. 2006 Dec;29(18):2853-7. doi: 10.1002/jssc.200600197. [PubMed:17305248 ]
  4. Gao S, Seo JS, Wang J, Keum YS, Li J, Li QX: Multiple degradation pathways of phenanthrene by Stenotrophomonas maltophilia C6. Int Biodeterior Biodegradation. 2013 Apr 1;79:98-104. doi: 10.1016/j.ibiod.2013.01.012. Epub 2013 Mar 6. [PubMed:23539472 ]
  5. Pantsyrnaya T, Delaunay S, Goergen JL, Guseva E, Boudrant J: Solubilization of phenanthrene above cloud point of Brij 30: a new application in biodegradation. Chemosphere. 2013 Jun;92(2):192-5. doi: 10.1016/j.chemosphere.2013.03.025. Epub 2013 Apr 9. [PubMed:23582404 ]