NP-MRD: Showing NP-Card for 1-tricosene (NP0202148)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-04 21:18:44 UTC

Updated at

2022-09-04 21:18:44 UTC

NP-MRD ID

NP0202148

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-tricosene

Description

1-Tricosene belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. Thus, 1-tricosene is considered to be a hydrocarbon lipid molecule. In bees, it is one of the communication pheromones released during the waggle dance. Products containing (Z)-9-tricosene are considered safe for humans, wildlife, and the environment. Through a decarboxylation reaction, the aldehyde is converted to (Z)-9-tricosene. 1-Tricosene is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. It is used as a pesticide, as in Maxforce Quickbayt by Bayer, luring males to traps to prevent them from reproducing. The acid is converted into the acyl-CoA derivative and then reduced to the aldehyde (Z)-15-tetracosenal. As a pesticide, (Z)-9-tricosene is used in fly paper and other traps to lure male flies, trap them, and prevent them from reproducing. The process is mediated by a cytochrome P450 enzyme and requires oxygen (O2) and nicotinamide adenine dinucleotide phosphate (NADPH). 1-tricosene is found in Nelumbo lutea, Terminalia chebula and Vanilla tahitensis. Females produce it to attract males to mate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 69 68  0  0  0  0  0  0  0  0999 V2000
   -6.4165    3.7654   -1.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0159    2.8676   -0.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0379    1.8103   -1.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8176    1.9582   -0.4497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7711    0.9183   -0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3334   -0.4812   -0.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2642   -1.5255   -0.8488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7786   -2.9035   -0.6497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2843   -3.2932    0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4889   -3.2947    1.8924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2826   -4.1512    1.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1059   -3.8305    1.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4668   -2.4560    1.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090   -2.1579    0.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2477   -0.8199    1.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3284    0.3081    0.9622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7531    1.6264    1.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8631    2.4116    0.9400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2787    2.1720    1.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0595    1.0687    0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1766    0.8087   -0.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8345    1.8106   -1.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2433    3.1735   -1.8154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1219    4.5341   -1.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0408    3.7598   -2.8982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4184    2.9204    0.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7506    1.9430   -2.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5433    0.8205   -1.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1517    1.7872    0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4059    2.9558   -0.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9431    1.0740   -0.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3380    1.0350   -1.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6911   -0.5344    0.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1559   -0.6718   -1.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1239   -1.4136   -1.9843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2837   -1.2819   -0.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1114   -3.6331   -1.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7107   -2.9459   -1.3496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2915   -2.7607    0.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6721   -4.3803    0.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1715   -2.2530    2.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1840   -3.6604    2.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5832   -5.2332    1.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9468   -4.0804    3.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -4.5757    1.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2305   -3.7888    0.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7989   -2.5583    2.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250   -1.7444    1.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694   -2.0780   -0.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410   -2.8992    0.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0719   -0.7306    0.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7794   -0.9352    2.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2963    0.0492    1.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0533    0.3708   -0.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8304    1.5687    2.5803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7686    2.2893    1.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6962    3.4804    1.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5971    2.7149   -0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    2.1177    2.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8711    3.1445    0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9723    0.1007    1.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1687    1.3351    0.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7878   -0.1457   -0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    0.5236   -1.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7822    1.3926   -2.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9496    1.8525   -1.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500    3.1822   -1.7857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7039    3.9286   -1.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4769    3.6381   -2.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
 23 22  1  0
 22 21  1  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  2  3
 23 67  1  0
 23 68  1  0
 23 69  1  0
 22 65  1  0
 22 66  1  0
 21 63  1  0
 21 64  1  0
 20 61  1  0
 20 62  1  0
 19 59  1  0
 19 60  1  0
 18 57  1  0
 18 58  1  0
 17 55  1  0
 17 56  1  0
 16 53  1  0
 16 54  1  0
 15 51  1  0
 15 52  1  0
 14 49  1  0
 14 50  1  0
 13 47  1  0
 13 48  1  0
 12 45  1  0
 12 46  1  0
 11 43  1  0
 11 44  1  0
 10 41  1  0
 10 42  1  0
  9 39  1  0
  9 40  1  0
  8 37  1  0
  8 38  1  0
  7 35  1  0
  7 36  1  0
  6 33  1  0
  6 34  1  0
  5 31  1  0
  5 32  1  0
  4 29  1  0
  4 30  1  0
  3 27  1  0
  3 28  1  0
  2 26  1  0
  1 24  1  0
  1 25  1  0
M  END


  Mrv1533004251507362D          

 23 22  0  0  0  0            999 V2000
   11.6605    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0895    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8039    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5184    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2329    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9474    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6618    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3763    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0908    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8052    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5197    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2342    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9487    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6631    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3776    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0921    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8065    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5210    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2355    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9499    7.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6644    7.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3789    7.5572    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  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
  7  8  1  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
 12 13  1  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  1  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  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0202148

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-23H2,2H3

> <INCHI_KEY>
SJDSOBWGZRPKSB-UHFFFAOYSA-N

> <FORMULA>
C23H46

> <MOLECULAR_WEIGHT>
322.621

> <EXACT_MASS>
322.359951481

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
47.39782182419822

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tricos-1-ene

> <ALOGPS_LOGP>
10.25

> <JCHEM_LOGP>
10.384817211333335

> <ALOGPS_LOGS>
-7.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
107.66929999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.14e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tricos-1-ene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0      21.766  14.107   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      23.100  13.337   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      24.434  14.107   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      25.767  13.337   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      27.101  14.107   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      28.435  13.337   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      29.768  14.107   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      31.102  13.337   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      32.436  14.107   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      33.769  13.337   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      35.103  14.107   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      36.437  13.337   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      37.770  14.107   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      39.104  13.337   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      40.438  14.107   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      41.772  13.337   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      43.105  14.107   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      44.439  13.337   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      45.773  14.107   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      47.106  13.337   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      48.440  14.107   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      49.774  13.337   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      51.107  14.107   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
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                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₃H₄₆

Average Mass

322.6210 Da

Monoisotopic Mass

322.35995 Da

IUPAC Name

tricos-1-ene

Traditional Name

tricos-1-ene

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCCCCCCCC=C

InChI Identifier

InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-23H2,2H3

InChI Key

SJDSOBWGZRPKSB-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
Nelumbo lutea	LOTUS Database	35616633
Terminalia chebula	LOTUS Database	35616633
Vanilla x tahitensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.

Kingdom

Organic compounds

Super Class

Hydrocarbons

Class

Unsaturated hydrocarbons

Sub Class

Unsaturated aliphatic hydrocarbons

Direct Parent

Unsaturated aliphatic hydrocarbons

Alternative Parents

Alkenes

Substituents

Unsaturated aliphatic hydrocarbon
Olefin
Alkene
Acyclic olefin
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Hydrocarbons (LMFA11000330 )

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	10.25	ALOGPS
logP	10.38	ChemAxon
logS	-7.4	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	20	ChemAxon
Refractivity	107.67 m³·mol⁻¹	ChemAxon
Polarizability	47.4 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

(Z)-9-Tricosene

METLIN ID

Not Available

PubChem Compound

181154

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-tricosene (NP0202148)

MOL for NP0202148 (1-tricosene)

3D MOL for NP0202148 (1-tricosene)

3D SDF for NP0202148 (1-tricosene)

3D-SDF for NP0202148 (1-tricosene)

PDB for NP0202148 (1-tricosene)

3D PDB for NP0202148 (1-tricosene)

SMILES for NP0202148 (1-tricosene)

INCHI for NP0202148 (1-tricosene)

Structure for NP0202148 (1-tricosene)

3D Structure for NP0202148 (1-tricosene)