NP-MRD: Showing NP-Card for (1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene (NP0176909)

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Record Information

Version

2.0

Created at

2022-09-03 14:39:18 UTC

Updated at

2022-09-03 14:39:18 UTC

NP-MRD ID

NP0176909

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene

Description

Cembrene, also known as thunbergen or thumbelene, belongs to the class of organic compounds known as cembrane diterpenoids. These are diterpenoids with a structure based a cembrane skeleton, which is characterized by the presence of an isopropyl group at C-1 and by three symmetrically disposed methyl groups a the t C-4, -8 and -12 positions. Cembrene A itself has little importance as chemical entity, being a trail pheromone for termites; however, the chemical structure of cembrene is central to a very wide variety of other natural products found both in plants and in animals. Cembrenes are biosynthesized by macrocyclization of geranylgeranyl pyrophosphate. Cembrene is possibly neutral. Outside of the human body, Cembrene has been detected, but not quantified in, fats and oils and herbs and spices. This could make cembrene a potential biomarker for the consumption of these foods. Cembrene A, or sometimes neocembrene, is a natural monocyclic diterpene isolated from corals of the genus Nephthea. (1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene is found in Larix lyallii. (1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene was first documented in 2004 (PMID: 15620244). It is a colorless oil with a faint wax-like odor.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 52 52  0  0  0  0  0  0  0  0999 V2000
   -1.5350   -4.1446   -0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7283   -3.0417    0.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551   -2.9486    0.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5880   -2.0297    0.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1383   -1.2481   -0.4448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8446   -0.1523   -0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3269    0.5136   -1.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1812    0.4541    0.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9499    1.0217    1.5786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7710    2.4843    1.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7804    2.9177    0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897    4.4260    0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1470    2.0376   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1613    1.3119    0.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4268   -0.1183    0.1583 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6942    0.0260   -0.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4939    0.9877   -1.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2171   -1.2567   -1.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7597   -0.9624    1.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4461   -2.2368    1.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682   -5.0108   -0.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7844   -3.7488   -1.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3542   -4.5119    0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9168   -3.6847   -0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4924   -2.6986    0.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3582   -1.5475    1.5986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9344   -1.6324   -1.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8164    1.4557   -1.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1658   -0.1492   -2.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4294    0.6645   -1.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765   -0.3315    1.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    1.2665    0.7846 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0358    0.7821    2.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0969    0.5663    1.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4274    3.2074    1.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0808    4.9196    1.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4101    4.6343    0.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1254    4.7724   -0.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931    1.2965   -0.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6370    2.7108   -0.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9848    1.3246    1.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1202    1.9077    0.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6143   -0.4793   -0.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4883    0.5016   -0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4696    0.9127   -2.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8194    2.0213   -1.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1541    0.6854   -2.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2116   -1.0280   -1.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4598   -1.9961   -0.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912   -1.6453   -2.0481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3093   -0.4541    2.1310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8042   -2.7524    2.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 16  1  0
 16 18  1  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 11  1  0
 11 12  1  0
 11 10  2  0
 10  9  1  0
  9  8  1  0
  8  6  1  0
  6  7  1  0
  6  5  2  0
  5  4  1  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2 20  1  0
 20 19  2  0
 19 15  1  0
 17 45  1  0
 17 46  1  0
 17 47  1  0
 16 44  1  0
 18 48  1  0
 18 49  1  0
 18 50  1  0
 15 43  1  6
 14 41  1  0
 14 42  1  0
 13 39  1  0
 13 40  1  0
 12 36  1  0
 12 37  1  0
 12 38  1  0
 10 35  1  0
  9 33  1  0
  9 34  1  0
  8 31  1  0
  8 32  1  0
  7 28  1  0
  7 29  1  0
  7 30  1  0
  5 27  1  0
  4 25  1  0
  4 26  1  0
  3 24  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
 20 52  1  0
 19 51  1  0
M  END


  Mrv0541 05061309222D          

 20 20  0  0  0  0            999 V2000
    1.1864   -2.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6152   -2.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8215    3.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4960    0.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -0.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916    1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3933    1.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6396    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0311    2.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030    0.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0456    0.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3234   -0.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4250   -0.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6855   -1.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0771   -1.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8952   -2.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8328    2.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6711    0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0569   -0.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8838   -1.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16  1  1  0  0  0  0
 16  2  1  0  0  0  0
 17  3  1  0  0  0  0
 17  8  2  0  0  0  0
 17  9  1  0  0  0  0
 18  4  1  0  0  0  0
 18 10  2  0  0  0  0
 18 12  1  0  0  0  0
 19  5  1  0  0  0  0
 19 11  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 20 15  1  0  0  0  0
 20 16  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0176909

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1CC\C(C)=C/CC\C(C)=C/C\C=C(/C)\C=C/1

> <INCHI_IDENTIFIER>
InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10+,19-11-

> <INCHI_KEY>
DMHADBQKVWXPPM-ZRMRITCRSA-N

> <FORMULA>
C20H32

> <MOLECULAR_WEIGHT>
272.4681

> <EXACT_MASS>
272.250401024

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
35.318079721547164

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1Z,3E,6Z,10Z)-3,7,11-trimethyl-14-(propan-2-yl)cyclotetradeca-1,3,6,10-tetraene

> <ALOGPS_LOGP>
6.90

> <JCHEM_LOGP>
6.524965355999999

> <ALOGPS_LOGS>
-5.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
95.4246

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.01e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1Z,3E,6Z,10Z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       2.215  -5.017   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.882  -4.981   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.400   5.771   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.393   0.068   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.390  -0.409   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.144   2.965   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.734   2.891   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.927   3.909   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.925   3.867   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.166   1.425   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.085   1.494   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.204  -1.349   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.793  -1.424   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.013  -2.326   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.011  -2.367   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.538  -4.229   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.421   4.231   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.853   0.047   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.106  -0.046   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.516  -2.689   0.000  0.00  0.00           C+0
CONECT    1   16                                                            
CONECT    2   16                                                            
CONECT    3   17                                                            
CONECT    4   18                                                            
CONECT    5   19                                                            
CONECT    6    8   10                                                       
CONECT    7    9   11                                                       
CONECT    8    6   17                                                       
CONECT    9    7   17                                                       
CONECT   10    6   18                                                       
CONECT   11    7   19                                                       
CONECT   12   14   18                                                       
CONECT   13   15   19                                                       
CONECT   14   12   20                                                       
CONECT   15   13   20                                                       
CONECT   16    1    2   20                                                  
CONECT   17    3    8    9                                                  
CONECT   18    4   10   12                                                  
CONECT   19    5   11   13                                                  
CONECT   20   14   15   16                                                  
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

View in JSmol

Synonyms

Value	Source
(+)-Cembrene	HMDB
(+)-Thunbergen	HMDB
(1S,2E,7E,11E)-2,4(18),7,11-Cembratraene	HMDB
Cembrene a	HMDB
Thumbelene	HMDB
Thunbergen	HMDB
Thunbergene	HMDB

Chemical Formula

C₂₀H₃₂

Average Mass

272.4681 Da

Monoisotopic Mass

272.25040 Da

IUPAC Name

(1Z,3E,6Z,10Z)-3,7,11-trimethyl-14-(propan-2-yl)cyclotetradeca-1,3,6,10-tetraene

Traditional Name

(1Z,3E,6Z,10Z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene

CAS Registry Number

Not Available

SMILES

CC(C)C1CC\C(C)=C/CC\C(C)=C/C\C=C(/C)\C=C/1

InChI Identifier

InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12-,17-8-,18-10+,19-11-

InChI Key

DMHADBQKVWXPPM-ZRMRITCRSA-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
Larix lyallii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cembrane diterpenoids. These are diterpenoids with a structure based a cembrane skeleton, which is characterized by the presence of an isopropyl group at C-1 and by three symmetrically disposed methyl groups a the t C-4, -8 and -12 positions.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Cembrane diterpenoids

Alternative Parents

Substituents

Cembrane diterpenoid
Branched unsaturated hydrocarbon
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic 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	6.9	ALOGPS
logP	6.52	ChemAxon
logS	-5.1	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	95.42 m³·mol⁻¹	ChemAxon
Polarizability	35.32 Å³	ChemAxon
Number of Rings	1	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

HMDB0036845

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB015797

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C11893

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Cembrene A

METLIN ID

Not Available

PubChem Compound

131752064

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Sawant SS, Sylvester PW, Avery MA, Desai P, Youssef DT, El Sayed KA: Bioactive rearranged and halogenated semisynthetic derivatives of the marine natural product sarcophine. J Nat Prod. 2004 Dec;67(12):2017-23. doi: 10.1021/np0497393. [PubMed:15620244 ]
LOTUS database [Link]

Showing NP-Card for (1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene (NP0176909)

MOL for NP0176909 ((1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene)

3D MOL for NP0176909 ((1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene)

3D SDF for NP0176909 ((1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene)

3D-SDF for NP0176909 ((1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene)

PDB for NP0176909 ((1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene)

3D PDB for NP0176909 ((1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene)

SMILES for NP0176909 ((1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene)

INCHI for NP0176909 ((1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene)

Structure for NP0176909 ((1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene)

3D Structure for NP0176909 ((1z,3e,6z,10z)-14-isopropyl-3,7,11-trimethylcyclotetradeca-1,3,6,10-tetraene)