NP-MRD: Showing NP-Card for 3-pentadecylphenol (NP0278668)

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Record Information

Version

2.0

Created at

2022-09-09 03:46:38 UTC

Updated at

2022-09-09 03:46:38 UTC

NP-MRD ID

NP0278668

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-pentadecylphenol

Description

3-Pentadecylphenol, also known as cyclogallipharaol or tetrahydro-anacardol, belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position. 3-Pentadecylphenol is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, 3-Pentadecylphenol has been detected, but not quantified in, nuts. 3-pentadecylphenol is found in Anacardium occidentale, Ginkgo biloba, Schistochila appendiculata and Tapirira obtusa. This could make 3-pentadecylphenol a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 58 58  0  0  0  0  0  0  0  0999 V2000
   -6.8172   -0.9668   -2.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1737    0.4118   -1.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1318    0.8586   -0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2030   -0.1649    0.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2635    0.0990    1.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8349    0.0917    1.1629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8422    0.3285    2.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4165    0.3601    1.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0780   -0.9263    1.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2161   -1.0776    0.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4855   -0.7909    1.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7437    0.6225    1.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0512    0.8557    2.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2650    0.4069    1.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4919    1.0650    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7253    0.5610   -0.6300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9124    1.2110   -0.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    0.7715   -0.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0696   -0.3276   -1.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8942   -0.9832   -2.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8412   -2.0717   -2.9045 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7515   -0.5222   -1.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2161   -1.0396   -3.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7178   -1.1201   -2.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2488   -1.7448   -1.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1609    1.1813   -2.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1363    0.3973   -1.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4552    1.8454   -0.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1392    0.9363   -1.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0072   -1.1668    0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2256   -0.2606    0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3268   -0.6613    2.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4659    1.0821    2.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7593    0.8970    0.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7065   -0.8788    0.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8278   -0.4675    3.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0022    1.2894    2.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7750    0.4796    2.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3488    1.2466    1.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0915   -1.6929    1.9236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9199   -1.3291    0.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713   -0.5829   -0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2526   -2.1957    0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790   -1.4371    1.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3230   -1.1493    0.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9441    1.2083    1.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9470    1.1186    0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9739    0.3002    3.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1791    1.9226    2.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1416    0.6598    1.9827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3219   -0.6871    1.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4987    2.1616    0.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    0.8466   -0.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9779    2.0671    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0541    1.2393   -0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9901   -0.6607   -2.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967   -2.5763   -3.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8258   -1.0408   -1.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 22  2  0
 22 20  1  0
 20 21  1  0
 20 19  2  0
 19 18  1  0
 18 17  2  0
 17 16  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  6 34  1  0
  6 35  1  0
  7 36  1  0
  7 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
  9 41  1  0
 10 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 13 49  1  0
 14 50  1  0
 14 51  1  0
 15 52  1  0
 15 53  1  0
 22 58  1  0
 21 57  1  0
 19 56  1  0
 18 55  1  0
 17 54  1  0
M  END


  Mrv0541 05061307252D          

 22 22  0  0  0  0            999 V2000
    9.2881   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4341   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7197   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4341   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7197   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7197   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
 18 15  1  0  0  0  0
 20 16  1  0  0  0  0
 20 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0278668

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCC1=CC(O)=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3

> <INCHI_KEY>
PTFIPECGHSYQNR-UHFFFAOYSA-N

> <FORMULA>
C21H36O

> <MOLECULAR_WEIGHT>
304.5099

> <EXACT_MASS>
304.276615774

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
41.262136037264895

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-pentadecylphenol

> <ALOGPS_LOGP>
8.94

> <JCHEM_LOGP>
8.407063193666666

> <ALOGPS_LOGS>
-6.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.105147601686587

> <JCHEM_PKA_STRONGEST_BASIC>
-5.478421324745654

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
97.4941

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.58e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenol, 3-pentadecyl-

> <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      17.338  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.672  -1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      20.005  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      21.339  -1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      22.673  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      24.006  -1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      25.340  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      26.674  -1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      28.007  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      29.341  -1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      30.675  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      32.008  -1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      33.342  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      34.676  -1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      40.010  -1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      36.009  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      38.677  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      40.010  -3.080   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      37.343  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      37.343  -1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      38.677  -3.850   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      38.677  -5.390   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   16                                                       
CONECT   15   17   18                                                       
CONECT   16   14   20                                                       
CONECT   17   15   20                                                       
CONECT   18   15   21                                                       
CONECT   19   20   21                                                       
CONECT   20   16   17   19                                                  
CONECT   21   18   19   22                                                  
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Value	Source
3-Pentadecyl-phenol	HMDB
3-Pentadecyl phenol	HMDB
5-Pentadecylphenol	HMDB
1-Hydroxy-3-pentadecylbenzene	HMDB
2-Deoxy-urushiol I	HMDB
3-N-Pentadecylphenol	HMDB
Anacardol?	HMDB
Cardanol C15:0	HMDB
Cardolite NC-507	HMDB
Cyclogallipharaol	HMDB
Cyclogallipharol	HMDB
Hydrocardanol	HMDB
Hydroginkgol	HMDB
m-Pentadecylphenol	HMDB
Phenol, m-pentadecyl- (8ci)	HMDB
Tetrahydro-anacardol	HMDB
Tetrahydroanacardol	HMDB

Chemical Formula

C₂₁H₃₆O

Average Mass

304.5099 Da

Monoisotopic Mass

304.27662 Da

IUPAC Name

3-pentadecylphenol

Traditional Name

phenol, 3-pentadecyl-

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCC1=CC(O)=CC=C1

InChI Identifier

InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3

InChI Key

PTFIPECGHSYQNR-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Anacardium occidentale	LOTUS Database	35616633
Ginkgo biloba	LOTUS Database	35616633
Schistochila appendiculata	LOTUS Database	35616633
Tapirira obtusa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Phenols

Sub Class

1-hydroxy-4-unsubstituted benzenoids

Direct Parent

1-hydroxy-4-unsubstituted benzenoids

Alternative Parents

Substituents

1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	8.94	ALOGPS
logP	8.41	ChemAxon
logS	-6.9	ALOGPS
pKa (Strongest Acidic)	10.11	ChemAxon
pKa (Strongest Basic)	-5.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	97.49 m³·mol⁻¹	ChemAxon
Polarizability	41.26 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0033872

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB012063

KNApSAcK ID

Not Available

Chemspider ID

61454

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

68146

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-pentadecylphenol (NP0278668)

MOL for NP0278668 (3-pentadecylphenol)

3D MOL for NP0278668 (3-pentadecylphenol)

3D SDF for NP0278668 (3-pentadecylphenol)

3D-SDF for NP0278668 (3-pentadecylphenol)

PDB for NP0278668 (3-pentadecylphenol)

3D PDB for NP0278668 (3-pentadecylphenol)

SMILES for NP0278668 (3-pentadecylphenol)

INCHI for NP0278668 (3-pentadecylphenol)

Structure for NP0278668 (3-pentadecylphenol)

3D Structure for NP0278668 (3-pentadecylphenol)