NP-MRD: Showing NP-Card for 3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one (NP0211319)

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Record Information

Version

2.0

Created at

2022-09-05 09:33:43 UTC

Updated at

2022-09-05 09:33:44 UTC

NP-MRD ID

NP0211319

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one

Description

3-(16-{[4,10-Dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0¹,⁵]Decan-4-yl]oxy}hexadeca-7,10,13-trien-1-yl)-4-methoxy-5-methylidene-2,5-dihydrofuran-2-one belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. 3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one is found in Artabotrys hexapetalus. 3-(16-{[4,10-Dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0¹,⁵]Decan-4-yl]oxy}hexadeca-7,10,13-trien-1-yl)-4-methoxy-5-methylidene-2,5-dihydrofuran-2-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004201504042D          

 41 44  0  0  0  0            999 V2000
   -7.2541   12.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 40 41  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004201504042D          

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   -7.2541   12.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4694   12.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2979   11.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5442   11.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8298   11.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1153   11.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4008   11.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6864   11.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719   11.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2574   11.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5429   11.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   11.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8860   11.9445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6005   11.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6005   10.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149   10.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0294   10.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7439   10.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4584   10.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1728   10.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8873   10.7070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6018   10.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1168    9.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9373   11.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7578   10.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9293   10.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6438   10.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6438   11.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3583   10.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3583    9.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6438    8.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6438    8.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3583    7.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9293    7.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9293    9.3299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2149    9.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6305   10.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0174   10.1595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4374   10.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8499   11.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6704   11.3407    0.0000 C   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
  3  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  4  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  4  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  4  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 31 35  1  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  0  0  0  0
 22 36  1  0  0  0  0
 26 36  1  0  0  0  0
  4 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
  3 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0211319

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(CCCCCCC=CCC=CCC=CCCOC2(C)CCC34C(C23)C(CCC4C)C(C)C)C(=O)OC1=C

> <INCHI_IDENTIFIER>
InChI=1S/C37H56O4/c1-27(2)30-23-22-28(3)37-25-24-36(5,34(37)32(30)37)40-26-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-31-33(39-6)29(4)41-35(31)38/h7,9-10,12,16,18,27-28,30,32,34H,4,8,11,13-15,17,19-26H2,1-3,5-6H3

> <INCHI_KEY>
QHKSMEVDOFESGZ-UHFFFAOYSA-N

> <FORMULA>
C37H56O4

> <MOLECULAR_WEIGHT>
564.851

> <EXACT_MASS>
564.417860283

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
68.66931973724859

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(16-{[4,10-dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0¹,⁵]decan-4-yl]oxy}hexadeca-7,10,13-trien-1-yl)-4-methoxy-5-methylidene-2,5-dihydrofuran-2-one

> <ALOGPS_LOGP>
8.36

> <JCHEM_LOGP>
9.080644770000001

> <ALOGPS_LOGS>
-7.23

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.09503866654826

> <JCHEM_POLAR_SURFACE_AREA>
44.760000000000005

> <JCHEM_REFRACTIVITY>
174.39410000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.32e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0     -13.541  24.135   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0     -12.076  23.659   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0     -11.756  22.153   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.349  21.526   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -9.016  22.296   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -7.682  21.526   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -6.348  22.296   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.015  21.526   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.681  22.296   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.347  21.526   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.013  22.296   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.320  21.526   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.654  22.296   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.988  21.526   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.988  19.986   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.321  19.216   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.655  19.986   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.989  19.216   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.322  19.986   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.656  19.216   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      10.990  19.986   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      12.323  19.216   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.418  17.970   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.950  20.623   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.481  20.462   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.801  18.956   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      16.135  19.726   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      16.135  21.266   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      17.469  18.956   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      17.469  17.416   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.135  16.646   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.135  15.106   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      17.469  14.336   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      14.801  14.336   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.801  17.416   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      13.468  18.186   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -10.510  19.995   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -9.366  18.964   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0     -12.017  19.675   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0     -12.787  21.008   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0     -14.318  21.169   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   40                                                  
CONECT    4    3    5   37                                                  
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   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24   36                                             
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   35   36                                             
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   35                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   31   26   36                                                  
CONECT   36   35   22   26                                                  
CONECT   37    4   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39    3   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₇H₅₆O₄

Average Mass

564.8510 Da

Monoisotopic Mass

564.41786 Da

IUPAC Name

3-(16-{[4,10-dimethyl-7-(propan-2-yl)tricyclo[4.4.0.0¹,⁵]decan-4-yl]oxy}hexadeca-7,10,13-trien-1-yl)-4-methoxy-5-methylidene-2,5-dihydrofuran-2-one

Traditional Name

3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one

CAS Registry Number

Not Available

SMILES

COC1=C(CCCCCCC=CCC=CCC=CCCOC2(C)CCC34C(C23)C(CCC4C)C(C)C)C(=O)OC1=C

InChI Identifier

InChI=1S/C37H56O4/c1-27(2)30-23-22-28(3)37-25-24-36(5,34(37)32(30)37)40-26-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-31-33(39-6)29(4)41-35(31)38/h7,9-10,12,16,18,27-28,30,32,34H,4,8,11,13-15,17,19-26H2,1-3,5-6H3

InChI Key

QHKSMEVDOFESGZ-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
Artabotrys hexapetalus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Cubebane sesquiterpenoid
Sesquiterpenoid
2-furanone
Dihydrofuran
Enol ester
Vinylogous ester
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Lactone
Carboxylic acid derivative
Dialkyl ether
Oxacycle
Ether
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	8.36	ALOGPS
logP	9.08	ChemAxon
logS	-7.2	ALOGPS
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	44.76 Å²	ChemAxon
Rotatable Bond Count	17	ChemAxon
Refractivity	174.39 m³·mol⁻¹	ChemAxon
Polarizability	68.67 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

78201229

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one (NP0211319)

MOL for NP0211319 (3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one)

3D MOL for NP0211319 (3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one)

3D SDF for NP0211319 (3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one)

3D-SDF for NP0211319 (3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one)

PDB for NP0211319 (3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one)

3D PDB for NP0211319 (3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one)

SMILES for NP0211319 (3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one)

INCHI for NP0211319 (3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one)

Structure for NP0211319 (3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one)

3D Structure for NP0211319 (3-[16-({7-isopropyl-4,10-dimethyltricyclo[4.4.0.0¹,⁵]decan-4-yl}oxy)hexadeca-7,10,13-trien-1-yl]-4-methoxy-5-methylidenefuran-2-one)