NP-MRD: Showing NP-Card for 2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol (NP0245620)

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Record Information

Version

2.0

Created at

2022-09-07 06:46:11 UTC

Updated at

2022-09-07 06:46:11 UTC

NP-MRD ID

NP0245620

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol

Description

2-[(3S,9S,10E)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Based on a literature review very few articles have been published on 2-[(3S,9S,10E)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072208462D          

 31 31  0  0  1  0            999 V2000
    5.7158   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868    6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6039    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  4  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  4  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 23 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END

     RDKit          3D

 71 71  0  0  0  0  0  0  0  0999 V2000
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    6.2258    2.7329   -1.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7386   -1.2558   -0.0049 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8499    0.9312    0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5876    1.7371    1.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0232    2.9935    0.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7479    3.7507    1.7566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7554    3.5499   -0.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2317    4.9295   -0.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7688   -1.0953   -0.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4507   -3.4940   -0.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6616   -1.9871    1.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4580   -3.0252    3.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5353   -1.6671    2.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1808   -3.3253    2.6921 H   0  0  0  0  0  0  0  0  0  0  0  0
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 31 71  1  0
M  END


  Mrv1652309072208462D          

 31 31  0  0  1  0            999 V2000
    5.7158   11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6039    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  2  0  0  0  0
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 30 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0245620

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC\C(C)=C\[C@@H](O)CC(C)=CCC[C@](C)(O)C=CC1=CC(O)=C(C)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H40O4/c1-19(2)9-7-10-20(3)15-24(28)16-21(4)11-8-13-27(6,31)14-12-23-18-25(29)22(5)17-26(23)30/h9,11-12,14-15,17-18,24,28-31H,7-8,10,13,16H2,1-6H3/b14-12?,20-15+,21-11?/t24-,27+/m1/s1

> <INCHI_KEY>
UHUUMLHCKBNMSI-IUOIMMEQSA-N

> <FORMULA>
C27H40O4

> <MOLECULAR_WEIGHT>
428.613

> <EXACT_MASS>
428.292659768

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
52.39009999172072

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(3S,9S,10E)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol

> <JCHEM_LOGP>
6.245539649000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.628343450318292

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.74967343766192

> <JCHEM_PKA_STRONGEST_BASIC>
-1.386952254906686

> <JCHEM_POLAR_SURFACE_AREA>
80.92

> <JCHEM_REFRACTIVITY>
134.0988

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-[(3S,9S,10E)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      10.669  21.560   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669  20.020   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.003  19.250   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.336  19.250   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.336  17.710   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002  16.940   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.002  15.400   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336  14.630   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668  14.630   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668  13.090   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       8.002  12.320   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       5.335  12.320   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335  10.780   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  10.010   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  10.010   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   7.700   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.127   6.160   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.207   6.160   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20   21                                             
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   18   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   30                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   23   31                                                  
CONECT   31   30                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   62    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₄₀O₄

Average Mass

428.6130 Da

Monoisotopic Mass

428.29266 Da

IUPAC Name

2-[(3S,9S,10E)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol

Traditional Name

2-[(3S,9S,10E)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol

CAS Registry Number

Not Available

SMILES

CC(C)=CCC\C(C)=C\[C@@H](O)CC(C)=CCC[C@](C)(O)C=CC1=CC(O)=C(C)C=C1O

InChI Identifier

InChI=1S/C27H40O4/c1-19(2)9-7-10-20(3)15-24(28)16-21(4)11-8-13-27(6,31)14-12-23-18-25(29)22(5)17-26(23)30/h9,11-12,14-15,17-18,24,28-31H,7-8,10,13,16H2,1-6H3/b14-12?,20-15+,21-11?/t24-,27+/m1/s1

InChI Key

UHUUMLHCKBNMSI-IUOIMMEQSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Prenylbenzoquinol
Cinnamyl alcohol
Fatty alcohol
Styrene
O-cresol
M-cresol
Hydroquinone
1-hydroxy-2-unsubstituted benzenoid
Toluene
Phenol
Fatty acyl
Benzenoid
Monocyclic benzene moiety
Tertiary alcohol
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
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	6.25	ChemAxon
pKa (Strongest Acidic)	9.75	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	80.92 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	134.1 m³·mol⁻¹	ChemAxon
Polarizability	52.39 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

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

Not Available

METLIN ID

Not Available

PubChem Compound

162900833

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol (NP0245620)

MOL for NP0245620 (2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol)

3D MOL for NP0245620 (2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol)

3D SDF for NP0245620 (2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol)

3D-SDF for NP0245620 (2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol)

PDB for NP0245620 (2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol)

3D PDB for NP0245620 (2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol)

SMILES for NP0245620 (2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol)

INCHI for NP0245620 (2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol)

Structure for NP0245620 (2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol)

3D Structure for NP0245620 (2-[(3s,9s,10e)-3,9-dihydroxy-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-1-yl]-5-methylbenzene-1,4-diol)