NP-MRD: Showing NP-Card for (2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid (NP0272450)

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Record Information

Version

2.0

Created at

2022-09-08 19:04:52 UTC

Updated at

2022-09-08 19:04:52 UTC

NP-MRD ID

NP0272450

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid

Description

Saurufuran A belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid is found in Saururus chinensis. (2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid was first documented in 2002 (PMID: 11975517). Based on a literature review very few articles have been published on Saurufuran A.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 51 51  0  0  0  0  0  0  0  0999 V2000
   -8.3603   -0.0598    0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8730   -0.4992    0.3461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9638    0.3955    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5616    0.4569    0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705   -0.5987    0.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2153    0.1294    0.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9793    1.1691    1.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3580   -0.1819   -0.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0278    0.4816   -0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0919   -0.5559   -0.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211    0.0897   -0.6904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7941    0.8048   -1.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3263    0.0575    0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6507    0.7157    0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7552   -0.2573    0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7018   -1.5395    0.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8918   -2.0760    0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8070   -1.0887    0.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0858    0.0850    0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7202    1.3967   -0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6078   -1.8737    0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5152   -2.3971    0.7613 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7789   -2.6906    0.7374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7051   -0.2040   -0.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4440    0.9652    0.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8955   -0.7353    0.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4548    1.4359   -0.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2164    1.3379    0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2118    0.9945   -0.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4819   -1.0608    1.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5568   -1.3333   -0.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6535    1.0710    2.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9497    1.1502    1.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2062    2.1554    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6055   -0.9654   -1.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517    0.8648   -1.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1087    1.3029   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0243   -1.3102   -1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0006   -1.0523    0.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0265    1.8804   -1.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9597    0.7573   -2.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6572    0.3005   -2.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1025   -0.4455    1.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8098    1.5017    0.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7560    1.1940   -0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1511   -3.1190    0.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8872   -1.2303    0.3155 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4958    1.2765   -0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9344    2.1245   -0.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2454    1.7436    0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2639   -2.5634    1.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2 21  1  0
 21 23  1  0
 21 22  2  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 15 19  2  0
 19 20  1  0
 19 18  1  0
 18 17  2  0
 17 16  1  0
 16 15  1  0
  7 32  1  0
  7 33  1  0
  7 34  1  0
  5 30  1  0
  5 31  1  0
  4 28  1  0
  4 29  1  0
  3 27  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
 23 51  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 10 39  1  0
 12 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 14 44  1  0
 14 45  1  0
 20 48  1  0
 20 49  1  0
 20 50  1  0
 18 47  1  0
 17 46  1  0
M  END


  Mrv1652309082221042D          

 23 23  0  0  0  0            999 V2000
   -3.7191    8.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0046    8.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0046    7.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901    6.8893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901    6.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757    5.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    6.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757    4.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    4.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8612    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    3.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1467    2.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901    8.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2901    9.3643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5757    8.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  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
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0272450

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(CC\C=C(\C)C(O)=O)=C/CC\C(C)=C\CC1=C(C)C=CO1

> <INCHI_IDENTIFIER>
InChI=1S/C20H28O3/c1-15(9-6-10-18(4)20(21)22)7-5-8-16(2)11-12-19-17(3)13-14-23-19/h7,10-11,13-14H,5-6,8-9,12H2,1-4H3,(H,21,22)/b15-7+,16-11+,18-10-

> <INCHI_KEY>
BMGJSWCTAGIXJL-SBFKIVPVSA-N

> <FORMULA>
C20H28O3

> <MOLECULAR_WEIGHT>
316.441

> <EXACT_MASS>
316.203844762

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
37.855310356683304

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2Z,6E,10E)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid

> <JCHEM_LOGP>
5.630694537666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.071157688816802

> <JCHEM_PKA_STRONGEST_BASIC>
-2.799441081775731

> <JCHEM_POLAR_SURFACE_AREA>
50.44

> <JCHEM_REFRACTIVITY>
97.20929999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2Z,6E,10E)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.942  15.940   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.609  15.170   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.609  13.630   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.275  12.860   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.275  11.320   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.941  10.550   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.608  11.320   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.941   9.010   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.608   8.240   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.608   6.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.274   5.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.060   6.700   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.274   4.390   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.060   3.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.306   1.175   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.830  -0.290   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.186   1.175   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.651   1.651   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.275  15.940   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -4.275  17.480   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -2.941  15.170   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   15   20                                                  
CONECT   20   19                                                            
CONECT   21    2   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₈O₃

Average Mass

316.4410 Da

Monoisotopic Mass

316.20384 Da

IUPAC Name

(2Z,6E,10E)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid

Traditional Name

(2Z,6E,10E)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid

CAS Registry Number

Not Available

SMILES

C\C(CC\C=C(\C)C(O)=O)=C/CC\C(C)=C\CC1=C(C)C=CO1

InChI Identifier

InChI=1S/C20H28O3/c1-15(9-6-10-18(4)20(21)22)7-5-8-16(2)11-12-19-17(3)13-14-23-19/h7,10-11,13-14H,5-6,8-9,12H2,1-4H3,(H,21,22)/b15-7+,16-11+,18-10-

InChI Key

BMGJSWCTAGIXJL-SBFKIVPVSA-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
Saururus chinensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Farsesane sesquiterpenoid
Long-chain fatty acid
Branched fatty acid
Heterocyclic fatty acid
Methyl-branched fatty acid
Unsaturated fatty acid
Fatty acyl
Fatty acid
Heteroaromatic compound
Furan
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	5.63	ChemAxon
pKa (Strongest Acidic)	5.07	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	50.44 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	97.21 m³·mol⁻¹	ChemAxon
Polarizability	37.86 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	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

558843

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

643734

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Hwang BY, Lee JH, Nam JB, Kim HS, Hong YS, Lee JJ: Two new furanoditerpenes from Saururus chinenesis and their effects on the activation of peroxisome proliferator-activated receptor gamma. J Nat Prod. 2002 Apr;65(4):616-7. doi: 10.1021/np010440j. [PubMed:11975517 ]
LOTUS database [Link]

Showing NP-Card for (2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid (NP0272450)

MOL for NP0272450 ((2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid)

3D MOL for NP0272450 ((2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid)

3D SDF for NP0272450 ((2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid)

3D-SDF for NP0272450 ((2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid)

PDB for NP0272450 ((2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid)

3D PDB for NP0272450 ((2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid)

SMILES for NP0272450 ((2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid)

INCHI for NP0272450 ((2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid)

Structure for NP0272450 ((2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid)

3D Structure for NP0272450 ((2z,6e,10e)-2,6,10-trimethyl-12-(3-methylfuran-2-yl)dodeca-2,6,10-trienoic acid)