NP-MRD: Showing NP-Card for (E,E)-Geranyllinalool (NP0065027)

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Record Information

Version

2.0

Created at

2022-04-28 09:18:43 UTC

Updated at

2025-02-11 15:48:12 UTC

NP-MRD ID

NP0065027

Natural Product DOI

https://doi.org/10.57994/2791

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(E,E)-Geranyllinalool

Description

(+)-Geranyllinalool belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. (E,E)-Geranyllinalool is found in Geigeria burkei, Murraya paniculata , Ocimum sanctum , Picea obovata, Pinus pinaster and Senecio vulgaris . (E,E)-Geranyllinalool was first documented in 2018 (PMID: 28710782). Based on a literature review very few articles have been published on (+)-Geranyllinalool.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 55 54  0  0  0  0  0  0  0  0999 V2000
   -7.0783   -0.7194    1.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1400   -0.3995    0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1997    0.5557   -0.1276 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6696    1.0090   -1.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1467    1.6822    0.6996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7953   -0.1013   -0.2153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8003    0.8060   -0.7285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379    0.6331   -0.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6826   -0.4087   -0.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901   -1.6411   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.3733   -1.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5077   -0.6649    0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9926   -0.6562    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6749    0.2019    0.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0677    1.1658    1.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1856    0.2106    0.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6388   -0.7931   -0.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0904   -0.8253   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0590   -0.0732   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9774    1.0975    0.6840 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4589   -0.4885   -0.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7894   -1.4229    2.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3296   -0.2970    2.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8980   -0.8408   -0.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7901    0.8879   -1.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4400    2.0821   -1.6132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2960    0.3912   -2.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0522    1.8065    1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8828   -1.1235   -0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5866   -0.2525    0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9200    1.7953   -0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2659    1.1711   -1.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920    1.5330   -1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9016   -2.1760   -1.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4445   -2.3986   -0.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7018   -1.6527    0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0925    0.5672   -1.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0127   -1.1923   -1.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1671   -1.6416    0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1607    0.0919    0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4293   -1.3595   -0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    0.6534    2.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    1.6453    2.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376    1.9692    1.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197    1.2231    0.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5313   -0.0692    1.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3025   -1.8181   -0.0852 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1582   -0.6534   -1.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4380   -1.6685   -1.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5433    0.9138    1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0580    1.3784    0.9400 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5754    1.9975    0.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1600    0.3259   -0.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7669   -1.3943   -0.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3379   -0.6894   -1.7793 H   0  0  0  0  0  0  0  0  0  0  0  0
 20 19  1  0
 19 21  1  0
 19 18  2  3
 18 17  1  0
 17 16  1  0
 16 14  1  0
 14 15  1  0
 14 13  2  0
 13 12  1  0
 12 11  1  0
 11  9  1  0
  9 10  1  0
  9  8  2  0
  8  7  1  0
  7  6  1  0
  6  3  1  0
  3  4  1  0
  3  5  1  1
  3  2  1  0
  2  1  2  3
 20 50  1  0
 20 51  1  0
 20 52  1  0
 21 53  1  0
 21 54  1  0
 21 55  1  0
 18 49  1  0
 17 47  1  0
 17 48  1  0
 16 45  1  0
 16 46  1  0
 15 42  1  0
 15 43  1  0
 15 44  1  0
 13 41  1  0
 12 39  1  0
 12 40  1  0
 11 37  1  0
 11 38  1  0
 10 34  1  0
 10 35  1  0
 10 36  1  0
  8 33  1  0
  7 31  1  0
  7 32  1  0
  6 29  1  0
  6 30  1  0
  4 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  2 24  1  0
  1 22  1  0
  1 23  1  0
M  END


  Mrv1652304282211182D          

 21 20  0  0  1  0            999 V2000
    5.7750    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    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
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -1.4289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355   -1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645   -1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 13 16  1  6  0  0  0
 13 17  1  6  0  0  0
  9 18  1  0  0  0  0
  5 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0065027

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+/t20-/m1/s1

> <INCHI_KEY>
IQDXAJNQKSIPGB-WAYIDIRISA-N

> <FORMULA>
C20H34O

> <MOLECULAR_WEIGHT>
290.491

> <EXACT_MASS>
290.260965715

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
37.531159425561235

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol

> <ALOGPS_LOGP>
5.92

> <JCHEM_LOGP>
5.966921002666666

> <ALOGPS_LOGS>
-4.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.459388332120984

> <JCHEM_PKA_STRONGEST_BASIC>
-1.2856635435302817

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
97.81179999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.07e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3S,6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      10.780   5.335   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.240   5.335   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.470   4.001   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.160   2.667   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.850   1.334   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.540   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      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.310  -1.334   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.080  -2.667   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.850  -4.001   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.390  -4.001   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.746  -3.437   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.414  -1.897   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.310  -1.334   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.930   1.334   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.550   6.668   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.550   4.001   0.000  0.00  0.00           C+0
CONECT    1    2   20   21                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   19                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   18                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   16   17                                             
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13                                                            
CONECT   17   13                                                            
CONECT   18    9                                                            
CONECT   19    5                                                            
CONECT   20    1                                                            
CONECT   21    1                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₃₄O

Average Mass

290.4910 Da

Monoisotopic Mass

290.26097 Da

IUPAC Name

(3S,6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol

Traditional Name

(3S,6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol

CAS Registry Number

Not Available

SMILES

CC(C)=CCC\C(C)=C\CC\C(C)=C\CC[C@](C)(O)C=C

InChI Identifier

InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13+,19-15+/t20-/m1/s1

InChI Key

IQDXAJNQKSIPGB-WAYIDIRISA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-10	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-10	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-10	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-10	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-10	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 200, CD₃OD, simulated)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-10	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Geigeria burkei	LOTUS Database	35616633
Murraya paniculata	Plant	KNApSAcK
Ocimum tenuiflorum	Plant	KNApSAcK
Picea obovata	LOTUS Database	35616633
Pinus pinaster	Plant	KNApSAcK
Senecio vulgaris	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Acyclic diterpenoids

Alternative Parents

Substituents

Acyclic diterpenoid
Tertiary alcohol
Organic oxygen compound
Hydrocarbon derivative
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	5.92	ALOGPS
logP	5.97	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	18.46	ChemAxon
pKa (Strongest Basic)	-1.3	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	10	ChemAxon
Refractivity	97.81 m³·mol⁻¹	ChemAxon
Polarizability	37.53 Å³	ChemAxon
Number of Rings	0	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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

28290548

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13118571

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Liu D, Huang X, Jing W, An X, Zhang Q, Zhang H, Zhou J, Zhang Y, Guo Y: Identification and functional analysis of two P450 enzymes of Gossypium hirsutum involved in DMNT and TMTT biosynthesis. Plant Biotechnol J. 2018 Feb;16(2):581-590. doi: 10.1111/pbi.12797. Epub 2017 Aug 16. [PubMed:28710782 ]

Showing NP-Card for (E,E)-Geranyllinalool (NP0065027)

MOL for NP0065027 ((E,E)-Geranyllinalool)

3D MOL for NP0065027 ((E,E)-Geranyllinalool)

3D SDF for NP0065027 ((E,E)-Geranyllinalool)

3D-SDF for NP0065027 ((E,E)-Geranyllinalool)

PDB for NP0065027 ((E,E)-Geranyllinalool)

3D PDB for NP0065027 ((E,E)-Geranyllinalool)

SMILES for NP0065027 ((E,E)-Geranyllinalool)

INCHI for NP0065027 ((E,E)-Geranyllinalool)

Structure for NP0065027 ((E,E)-Geranyllinalool)

3D Structure for NP0065027 ((E,E)-Geranyllinalool)