NP-MRD: Showing NP-Card for 6,10,14-Trimethyl-pentadecan-2-one (NP0044972)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-03-10 18:52:03 UTC

Updated at

2022-03-10 22:17:45 UTC

NP-MRD ID

NP0044972

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6,10,14-Trimethyl-pentadecan-2-one

Description

6,10,14-Trimethyl-Pentadecan-2-one, also known as hexahydrofarnesylacetone, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes that contain 15 carbon atoms with three consecutive isoprene units. The biosynthesis of sesquiterpenes is known to occur mainly through the mevalonic acid pathway (MVA), in the cytosol. However, recent studies have found evidence of pathway crosstalk with the methyl-eritritol-phosphate (MEP) pathway in the plastid (PMID: 19932496 , 17710406 ). 6,10,14-Trimethyl-Pentadecan-2-one is one of several ketones that are known in cannabis plants (PMID: 6991645 ). 6,10,14-Trimethyl-pentadecan-2-one is a celery, fat, and herbal tasting compound and can be found in a number of food items such as sweet basil, common oregano, roselle, and wild celery.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 55 54  0  0  0  0  0  0  0  0999 V2000
    7.7221    1.3587   -0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2569    1.6407   -0.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8129    2.4914   -1.4733 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    0.8706    0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9529    1.3638   -0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    0.6013    0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9876   -0.8459    0.5850 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9554   -1.2968   -0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0588   -1.6077    1.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520   -1.5992    1.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0711   -0.3094    0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5201   -0.6677    0.5378 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5182   -1.6369   -0.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3666    0.5373    0.3571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8010    0.1199    0.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7181    1.3184    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1485    0.8760   -0.1586 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3224   -0.0050   -1.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6965    0.1977    1.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0094    0.7061    0.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9470    0.8147   -1.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3114    2.2929   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419    1.0656    1.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4702   -0.1946   -0.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8563    2.4276    0.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130    1.2388   -1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0641    1.1147    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4001    0.7027    1.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0520   -1.2250    0.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9616   -1.5895   -1.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215   -0.4896   -1.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2555   -2.1661   -0.9388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4728   -2.6743    1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056   -1.2713    2.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -2.1967    0.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0978   -2.2851    1.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2881    0.2327   -0.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0178    0.3930    1.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9030   -1.1919    1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4451   -1.6367   -1.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875   -1.3887   -1.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4148   -2.6870   -0.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0147    1.1698   -0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2677    1.1910    1.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0965   -0.4510    1.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9264   -0.4807   -0.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4239    1.9648   -0.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6767    1.9050    0.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7634    1.7912   -0.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7865    0.4588   -2.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4113   -0.0899   -1.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9087   -1.0044   -1.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8082    0.2200    0.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4344    0.7811    1.9717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3872   -0.8553    1.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 17  1  0
 17 19  1  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 12  1  0
 12 13  1  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  7  1  0
  7  8  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  2  0
 18 50  1  0
 18 51  1  0
 18 52  1  0
 17 49  1  6
 19 53  1  0
 19 54  1  0
 19 55  1  0
 16 47  1  0
 16 48  1  0
 15 45  1  0
 15 46  1  0
 14 43  1  0
 14 44  1  0
 12 39  1  1
 13 40  1  0
 13 41  1  0
 13 42  1  0
 11 37  1  0
 11 38  1  0
 10 35  1  0
 10 36  1  0
  9 33  1  0
  9 34  1  0
  7 29  1  1
  8 30  1  0
  8 31  1  0
  8 32  1  0
  6 27  1  0
  6 28  1  0
  5 25  1  0
  5 26  1  0
  4 23  1  0
  4 24  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
M  END


  Mrv1652309272007432D          

 19 18  0  0  0  0            999 V2000
 9998.0191 9996.3818    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.3045 9995.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.5898 9996.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.8754 9995.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.1598 9996.3818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9994.4463 9995.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.7309 9996.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.0153 9995.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.3019 9996.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.5843 9995.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.3019 9997.2072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.1598 9997.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.7341 9995.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.4487 9996.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.1634 9995.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.8780 9996.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.5930 9995.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.8780 9997.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.0191 9997.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  6  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  1  0  0  0  0
  5 12  1  6  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
  9 11  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
 16 18  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044972

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3/t16-,17-/m1/s1

> <INCHI_KEY>
WHWDWIHXSPCOKZ-IAGOWNOFSA-N

> <FORMULA>
C18H36O

> <MOLECULAR_WEIGHT>
268.485

> <EXACT_MASS>
268.276615779

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
36.164886689684195

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6R,10R)-6,10,14-trimethylpentadecan-2-one

> <ALOGPS_LOGP>
7.48

> <JCHEM_LOGP>
6.558128259333333

> <ALOGPS_LOGS>
-6.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.643326578756167

> <JCHEM_PKA_STRONGEST_BASIC>
-7.270869926130766

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
85.07849999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.97e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6R,10R)-6,10,14-trimethylpentadecan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8662.9698659.913   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8661.6358659.144   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8660.3018659.913   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8658.9678659.144   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8657.6328659.913   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8656.3008659.144   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8654.9648659.913   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8653.6298659.144   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8652.2978659.913   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8650.9578659.144   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0    8652.2978661.453   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    8657.6328661.453   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8664.3048659.144   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8665.6388659.913   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8666.9728659.144   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8668.3068659.913   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8669.6408659.144   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8668.3068661.453   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8662.9698661.453   0.000  0.00  0.00           C+0
CONECT    1    2   13   19                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    5                                                            
CONECT   13    1   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19    1                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

View in JSmol

Synonyms

Value	Source
(6R,10R)-6,10,14-Trimethyl-2-pentadecanone	PhytoBank
(+)-(R,R)-Phytone	PhytoBank
(+)-Phytone	PhytoBank
(6R,10R)-6,10,14-Trimethylpentadecan-2-one	PhytoBank
(R,R)-Phytone	PhytoBank
Phytol ketone	PhytoBank
Phytone	PhytoBank
6,10,14-Trimethyl-2-pentadecanone	PhytoBank
(±)-Phytone	PhytoBank
Hexahydrofarnesyl acetone	PhytoBank
Perhydrofarnesyl acetone	PhytoBank

Chemical Formula

C₁₈H₃₆O

Average Mass

268.4850 Da

Monoisotopic Mass

268.27662 Da

IUPAC Name

(6R,10R)-6,10,14-trimethylpentadecan-2-one

Traditional Name

(6R,10R)-6,10,14-trimethylpentadecan-2-one

CAS Registry Number

Not Available

SMILES

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)=O

InChI Identifier

InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3/t16-,17-/m1/s1

InChI Key

WHWDWIHXSPCOKZ-IAGOWNOFSA-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, 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

Not Available

Species

Species of Origin

Species Name	Source	Reference
Ambrosia trifida	Plant	KNApSAcK
Anthemis aciphylla BOISS.var.discoidea BOISS	Plant	KNApSAcK
Aphomia sociella	Animalia	KNApSAcK
Cannabis sativa	NULL	Not Available
Centaurea armena	Plant	KNApSAcK
Centaurea sessilis	Plant	KNApSAcK
Mandragora autumnalis	Plant	KNApSAcK
Petasites hybridus	Plant	KNApSAcK
Phagnalon sordidum	Plant	KNApSAcK
Polygonum minus	Plant	KNApSAcK
Prunus armeniaca L. (K113-40,K33-81)	Plant	KNApSAcK
Prunus salcina Lindl. (Blackamber)	Plant	KNApSAcK
Santalum album	Plant	KNApSAcK
Tanacetum macrophyllum	Plant	KNApSAcK
Teucrium polium	LOTUS Database	35616633
Tipuana tipu	Plant	KNApSAcK
Trifolium pratense	Plant	KNApSAcK

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

Farsesane sesquiterpenoid
Sesquiterpenoid
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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	7.48	ALOGPS
logP	6.56	ChemAxon
logS	-6.8	ALOGPS
pKa (Strongest Acidic)	19.64	ChemAxon
pKa (Strongest Basic)	-7.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	17.07 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	85.08 m³·mol⁻¹	ChemAxon
Polarizability	36.16 Å³	ChemAxon
Number of Rings	0	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

1810793

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for 6,10,14-Trimethyl-pentadecan-2-one (NP0044972)

MOL for NP0044972 (6,10,14-Trimethyl-pentadecan-2-one)

3D MOL for NP0044972 (6,10,14-Trimethyl-pentadecan-2-one)

3D SDF for NP0044972 (6,10,14-Trimethyl-pentadecan-2-one)

3D-SDF for NP0044972 (6,10,14-Trimethyl-pentadecan-2-one)

PDB for NP0044972 (6,10,14-Trimethyl-pentadecan-2-one)

3D PDB for NP0044972 (6,10,14-Trimethyl-pentadecan-2-one)

SMILES for NP0044972 (6,10,14-Trimethyl-pentadecan-2-one)

INCHI for NP0044972 (6,10,14-Trimethyl-pentadecan-2-one)

Structure for NP0044972 (6,10,14-Trimethyl-pentadecan-2-one)

3D Structure for NP0044972 (6,10,14-Trimethyl-pentadecan-2-one)