NP-MRD: Showing NP-Card for Lophenol (NP0047764)

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Record Information

Version

2.0

Created at

2022-03-17 20:45:34 UTC

Updated at

2022-03-17 20:45:35 UTC

NP-MRD ID

NP0047764

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Lophenol

Description

Lophenol, also known as methostenol, belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Thus, lophenol is considered to be a sterol lipid molecule. Lophenol is found in Aloe sabaea, Aloe saponaria , Aloe barbadensis , Ambrosia artemisiifolia, Avena sativa, Crotone hieronymi, Diplopterygium glaucum, Lophocereus schottii, Mangifera indica, Nigella sativa , Solanum melongena, Symphoricarpos albus and Vigna angularis. Lophenol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305221920182D          

 36 39  0  0  1  0            999 V2000
    6.0213   -4.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7357   -3.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5936   -3.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3937   -4.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4487   -3.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9306   -3.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1647   -4.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4502   -4.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8791   -4.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9728   -5.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7798   -5.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3943   -5.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2013   -5.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1237   -3.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5446   -2.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167   -3.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7376   -2.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7357   -4.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5936   -4.1894    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8417   -4.1933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4208   -4.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3081   -4.6019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0347   -4.3648    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6138   -4.8794    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6757   -3.9232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0966   -3.4087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0618   -4.2663    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4827   -3.7517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9036   -3.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8791   -3.7769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5867   -4.9779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6162   -5.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2897   -3.5802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0987   -5.5468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2277   -4.5363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6487   -4.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 11 10  1  0  0  0  0
 13 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  1  1  0  0  0  0
 18  2  1  0  0  0  0
 18  8  1  0  0  0  0
 19  3  1  1  0  0  0
 19  9  1  0  0  0  0
 20  4  1  1  0  0  0
 21 10  2  0  0  0  0
 22 12  1  0  0  0  0
 22 19  1  6  0  0  0
 23 11  1  0  0  0  0
 23 20  1  0  0  0  0
 24 13  1  0  0  0  0
 24 21  1  0  0  0  0
 25 14  1  0  0  0  0
 25 21  1  0  0  0  0
 26 15  1  0  0  0  0
 26 20  1  0  0  0  0
 27  5  1  6  0  0  0
 27 16  1  0  0  0  0
 27 22  1  0  0  0  0
 27 24  1  0  0  0  0
 28  6  1  6  0  0  0
 28 17  1  0  0  0  0
 28 23  1  0  0  0  0
 28 25  1  0  0  0  0
 26 29  1  6  0  0  0
 19 30  1  6  0  0  0
 20 31  1  6  0  0  0
 22 32  1  1  0  0  0
 23 33  1  1  0  0  0
 24 34  1  1  0  0  0
 25 35  1  1  0  0  0
 26 36  1  1  0  0  0
M  END


  Mrv1652305221920182D          

 36 39  0  0  1  0            999 V2000
    6.0213   -4.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7357   -3.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5936   -3.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3937   -4.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4487   -3.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9306   -3.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1647   -4.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4502   -4.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8791   -4.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9728   -5.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7798   -5.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3943   -5.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2013   -5.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1237   -3.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5446   -2.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167   -3.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7376   -2.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7357   -4.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5936   -4.1894    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8417   -4.1933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4208   -4.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3081   -4.6019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0347   -4.3648    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6138   -4.8794    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6757   -3.9232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0966   -3.4087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0618   -4.2663    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4827   -3.7517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9036   -3.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8791   -3.7769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5867   -4.9779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6162   -5.0512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2897   -3.5802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0987   -5.5468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2277   -4.5363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6487   -4.0218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 11 10  1  0  0  0  0
 13 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  1  1  0  0  0  0
 18  2  1  0  0  0  0
 18  8  1  0  0  0  0
 19  3  1  1  0  0  0
 19  9  1  0  0  0  0
 20  4  1  1  0  0  0
 21 10  2  0  0  0  0
 22 12  1  0  0  0  0
 22 19  1  6  0  0  0
 23 11  1  0  0  0  0
 23 20  1  0  0  0  0
 24 13  1  0  0  0  0
 24 21  1  0  0  0  0
 25 14  1  0  0  0  0
 25 21  1  0  0  0  0
 26 15  1  0  0  0  0
 26 20  1  0  0  0  0
 27  5  1  6  0  0  0
 27 16  1  0  0  0  0
 27 22  1  0  0  0  0
 27 24  1  0  0  0  0
 28  6  1  6  0  0  0
 28 17  1  0  0  0  0
 28 23  1  0  0  0  0
 28 25  1  0  0  0  0
 26 29  1  6  0  0  0
 19 30  1  6  0  0  0
 20 31  1  6  0  0  0
 22 32  1  1  0  0  0
 23 33  1  1  0  0  0
 24 34  1  1  0  0  0
 25 35  1  1  0  0  0
 26 36  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0047764

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])[C@]([H])(C)[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,26+,27-,28+/m1/s1

> <INCHI_KEY>
LMYZQUNLYGJIHI-SPONXPENSA-N

> <FORMULA>
C28H48O

> <MOLECULAR_WEIGHT>
400.6801

> <EXACT_MASS>
400.370516158

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
52.56809020251129

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol

> <ALOGPS_LOGP>
7.34

> <JCHEM_LOGP>
7.477861857000003

> <ALOGPS_LOGS>
-7.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.957638198850066

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0677290518229814

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
125.08809999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.98e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1  C   UNK     0      11.240  -8.590   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.573  -6.280   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      17.908  -6.280   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      28.735  -8.972   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      19.504  -6.933   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      24.137  -5.859   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      15.241  -7.820   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.907  -8.590   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      16.574  -8.590   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      24.216  -9.932   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      25.722  -9.612   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      19.403 -10.122   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      20.909 -10.442   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      22.631  -6.179   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      27.150  -5.218   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      21.125  -6.499   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      25.644  -5.539   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.573  -7.820   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.908  -7.820   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      27.704  -7.827   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      23.185  -8.788   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      19.242  -8.590   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      26.198  -8.148   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      21.679  -9.108   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      23.661  -7.323   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      28.180  -6.363   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      20.649  -7.964   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      25.168  -7.003   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      29.687  -6.043   0.000  0.00  0.00           O+0
HETATM   30  H   UNK     0      16.574  -7.050   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0      27.229  -9.292   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0      17.950  -9.429   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      26.674  -6.683   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0      22.584 -10.354   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0      24.692  -8.468   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0      29.211  -7.507   0.000  0.00  0.00           H+0
CONECT    1   18                                                            
CONECT    2   18                                                            
CONECT    3   19                                                            
CONECT    4   20                                                            
CONECT    5   27                                                            
CONECT    6   28                                                            
CONECT    7    8    9                                                       
CONECT    8    7   18                                                       
CONECT    9    7   19                                                       
CONECT   10   11   21                                                       
CONECT   11   10   23                                                       
CONECT   12   13   22                                                       
CONECT   13   12   24                                                       
CONECT   14   16   25                                                       
CONECT   15   17   26                                                       
CONECT   16   14   27                                                       
CONECT   17   15   28                                                       
CONECT   18    1    2    8                                                  
CONECT   19    3    9   22   30                                             
CONECT   20    4   23   26   31                                             
CONECT   21   10   24   25                                                  
CONECT   22   12   19   27   32                                             
CONECT   23   11   20   28   33                                             
CONECT   24   13   21   27   34                                             
CONECT   25   14   21   28   35                                             
CONECT   26   15   20   29   36                                             
CONECT   27    5   16   22   24                                             
CONECT   28    6   17   23   25                                             
CONECT   29   26                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32   22                                                            
CONECT   33   23                                                            
CONECT   34   24                                                            
CONECT   35   25                                                            
CONECT   36   26                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   78    0
END

View in JSmol

Synonyms

Value	Source
4-Methylcholest-7-en-3-ol	ChEBI
Methostenol	ChEBI
4alpha-Methyl-5alpha-cholest-7-en-3beta-ol	Kegg
4a-Methyl-5a-cholest-7-en-3b-ol	Generator
4Α-methyl-5α-cholest-7-en-3β-ol	Generator
4-Methylcholest-7-en-3-ol, (3beta,4alpha)-isomer	MeSH
4-alpha-Methyl-5-alpha-cholest-7-en-3-beta-ol	MeSH

Chemical Formula

C₂₈H₄₈O

Average Mass

400.6801 Da

Monoisotopic Mass

400.37052 Da

IUPAC Name

(1R,2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol

Traditional Name

(1R,2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-5-ol

CAS Registry Number

481-25-4

SMILES

[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])C3=CC[C@@]4([H])[C@]([H])(C)[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C

InChI Identifier

InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,26+,27-,28+/m1/s1

InChI Key

LMYZQUNLYGJIHI-SPONXPENSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Allium cepa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Aloe sabaea	Plant	KNApSAcK
Aloe saponaria	Plant	KNApSAcK
Aloe vera	Plant	KNApSAcK
Ambrosia artemisiifolia	LOTUS Database	35616633
Avena sativa	LOTUS Database	35616633
Avena sativa L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Capsicum annuum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Crotone hieronymi	-	KNApSAcK
Diplopterygium glaucum	LOTUS Database	35616633
Lophocereus schottii	Plant	KNApSAcK
Mangifera indica	LOTUS Database	35616633
Nigella sativa	Plant	KNApSAcK
Solanum lycopersicum var. lycopersicum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Solanum melongena	LOTUS Database	35616633
Solanum tuberosum	FooDB	Shmuel Yannai Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients. Chap...
Symphoricarpos albus	LOTUS Database	35616633
Vigna angularis	LOTUS Database	35616633
Zea mays L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Cholestane steroids

Direct Parent

Cholesterols and derivatives

Alternative Parents

Substituents

Cholesterol-skeleton
Cholesterol
3-beta-hydroxysteroid
Hydroxysteroid
3-hydroxysteroid
3-hydroxy-delta-7-steroid
Delta-7-steroid
Cyclic alcohol
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

3beta-hydroxy steroid (CHEBI:18378 )
cholestane (C08825 )
Cholesterol and derivatives (C08825 )
Cholesterol and derivatives (LMST01010094 )

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	7.34	ALOGPS
logP	7.48	ChemAxon
logS	-7.1	ALOGPS
pKa (Strongest Acidic)	18.96	ChemAxon
pKa (Strongest Basic)	-1.1	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	5	ChemAxon
Refractivity	125.09 m³·mol⁻¹	ChemAxon
Polarizability	52.57 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB012028

KNApSAcK ID

C00003659

Chemspider ID

Not Available

KEGG Compound ID

C08825

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

160482

PDB ID

Not Available

ChEBI ID

18378

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Lophenol (NP0047764)

MOL for NP0047764 (Lophenol)

3D MOL for NP0047764 (Lophenol)

3D SDF for NP0047764 (Lophenol)

3D-SDF for NP0047764 (Lophenol)

PDB for NP0047764 (Lophenol)

3D PDB for NP0047764 (Lophenol)

SMILES for NP0047764 (Lophenol)

INCHI for NP0047764 (Lophenol)

Structure for NP0047764 (Lophenol)

3D Structure for NP0047764 (Lophenol)