NP-MRD: Showing NP-Card for Rimuene (NP0084382)

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Record Information

Version

2.0

Created at

2022-04-29 05:07:36 UTC

Updated at

2022-04-29 05:07:36 UTC

NP-MRD ID

NP0084382

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Rimuene

Description

Rimuene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Rimuene is found in Cryptomeria japonica, Dacrydium cupressinum, Dacrydium nausoriense, Mesosphaerum suaveolens, Lepidothamnus intermedius, Prumnopitys andina, Prumnopitys ferruginoides, Richea continentis, Thuja occidentalis, Thuja standishii, Thujopsis dolabrata, Thymus capitatus and Xylopia sericea . Rimuene was first documented in 2001 (PMID: 11412956). Rimuene is possibly neutral (PMID: 25818694) (PMID: 19935470).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 52 54  0  0  0  0  0  0  0  0999 V2000
   -4.4180    2.2253   -0.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0716    1.2723    0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2265    0.1048    0.0814 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1936   -1.0347   -0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4380    0.4394   -1.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2923   -0.4686   -1.4175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4239   -0.7052   -0.1850 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6231   -2.1872    0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0272   -0.5197   -0.4789 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8050   -1.8160   -0.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3012   -1.5052   -0.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5978   -0.1361   -1.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0853    0.8650    0.0233 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0747    0.8317    1.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0258    2.2063   -0.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7390    0.3702    0.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2923    0.7729    1.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0393    0.3005    2.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9358    0.1859    0.8992 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3422   -0.2190    1.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0900    2.1962   -1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0291    3.0395   -0.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4086    1.3131    1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2395   -0.7280   -0.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9852   -1.8380    0.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9132   -1.4774   -1.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583    1.5218   -1.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1585    0.3067   -2.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6171    0.0491   -2.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6074   -1.3971   -1.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2524   -2.4368    1.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441   -2.7798   -0.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6989   -2.4683    0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1068   -0.0560   -1.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6114   -2.4775    0.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6534   -2.3444   -1.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8894   -2.2356   -1.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646   -1.5494    0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -0.0372   -1.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1349    0.0614   -2.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0789    0.4869    0.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2455    1.8715    1.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7652    0.1373    1.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918    3.0491    0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451    2.2377   -1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9510    2.3473   -1.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9060    1.4366    2.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0256   -0.6425    2.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4529    1.0867    2.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0173    1.2184    0.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6163    0.3950    2.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4246   -1.2688    1.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
 19 18  1  0
 18 17  1  0
 17 16  2  0
 16  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  1
 13 15  1  0
  9  7  1  0
  7  8  1  1
  7  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  1  6
  3 20  1  0
  3  2  1  0
  2  1  2  3
  7 19  1  0
 20 19  1  0
 13 16  1  0
 19 50  1  6
 18 48  1  0
 18 49  1  0
 17 47  1  0
  9 34  1  6
 10 35  1  0
 10 36  1  0
 11 37  1  0
 11 38  1  0
 12 39  1  0
 12 40  1  0
 14 41  1  0
 14 42  1  0
 14 43  1  0
 15 44  1  0
 15 45  1  0
 15 46  1  0
  8 31  1  0
  8 32  1  0
  8 33  1  0
  6 29  1  0
  6 30  1  0
  5 27  1  0
  5 28  1  0
  4 24  1  0
  4 25  1  0
  4 26  1  0
 20 51  1  0
 20 52  1  0
  2 23  1  0
  1 21  1  0
  1 22  1  0
M  END


  Mrv1652309272006272D          

 22 24  0  0  0  0            999 V2000
 9998.4365 9998.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.582210000.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.2962 9999.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.866110000.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1499 9999.5080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5249 9996.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.4760 9996.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.7195 9999.5080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9997.0057 9999.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2913 9998.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2913 9997.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.0057 9997.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.7202 9997.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.7202 9998.6812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.150610000.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.4362 9999.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.4362 9999.0940    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.1506 9998.6816    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.8650 9999.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8650 9999.9190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.4353 9997.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1497 9997.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  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
 15 16  1  0  0  0  0
 15 20  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
 21 22  1  0  0  0  0
 12  6  1  0  0  0  0
 12  7  1  0  0  0  0
 14  8  1  6  0  0  0
 13 21  2  0  0  0  0
 20  2  1  0  0  0  0
 20  4  1  1  0  0  0
 17  1  1  1  0  0  0
 17 14  1  0  0  0  0
 22 18  1  0  0  0  0
 18  5  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0084382

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12CC=C3[C@@]([H])(CCCC3(C)C)[C@]1(C)CC[C@@](C)(C2)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C20H32/c1-6-19(4)12-13-20(5)15(14-19)9-10-16-17(20)8-7-11-18(16,2)3/h6,10,15,17H,1,7-9,11-14H2,2-5H3/t15-,17-,19+,20-/m1/s1

> <INCHI_KEY>
BAIWMJSLFJWAQP-WSTLGDPDSA-N

> <FORMULA>
C20H32

> <MOLECULAR_WEIGHT>
272.476

> <EXACT_MASS>
272.25040103

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
34.67251896918967

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4aS,4bR,7S,8aR)-7-ethenyl-1,1,4b,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthrene

> <ALOGPS_LOGP>
6.84

> <JCHEM_LOGP>
5.8754919800000005

> <ALOGPS_LOGS>
-6.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
88.61760000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.31e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4aS,4bR,7S,8aR)-7-ethenyl-1,1,4b,7-tetramethyl-3,4,4a,5,6,8,8a,9-octahydro-2H-phenanthrene

> <JCHEM_VEBER_RULE>
1

$$$$

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    8663.7488663.434   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8667.7538667.289   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8669.0868666.515   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8666.4178668.056   0.000  0.00  0.00           C+0
HETATM    5  H   UNK     0    8665.0808665.748   0.000  0.00  0.00           H+0
HETATM    6  C   UNK     0    8662.0468660.697   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8660.0898660.712   0.000  0.00  0.00           C+0
HETATM    8  H   UNK     0    8662.4108665.748   0.000  0.00  0.00           H+0
HETATM    9  C   UNK     0    8661.0778664.975   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8659.7448664.205   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8659.7448662.665   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8661.0778661.895   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8662.4118662.665   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8662.4118664.205   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8665.0818667.285   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8663.7488666.515   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8663.7488664.975   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8665.0818664.206   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8666.4158664.975   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8666.4158666.515   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8663.7468661.895   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8665.0798662.665   0.000  0.00  0.00           C+0
CONECT    1   17                                                            
CONECT    2    3   20                                                       
CONECT    3    2                                                            
CONECT    4   20                                                            
CONECT    5   18                                                            
CONECT    6   12                                                            
CONECT    7   12                                                            
CONECT    8   14                                                            
CONECT    9   10   14                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13    6    7                                             
CONECT   13   12   14   21                                                  
CONECT   14    9   13    8   17                                             
CONECT   15   16   20                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18    1   14                                             
CONECT   18   17   19   22    5                                             
CONECT   19   18   20                                                       
CONECT   20   15   19    2    4                                             
CONECT   21   22   13                                                       
CONECT   22   21   18                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
Rimuen	PhytoBank
Rimuenel	PhytoBank
(13S)-Rosa-5,15-diene	PhytoBank

Chemical Formula

C₂₀H₃₂

Average Mass

272.4760 Da

Monoisotopic Mass

272.25040 Da

IUPAC Name

(4aS,4bR,7S,8aR)-7-ethenyl-1,1,4b,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthrene

Traditional Name

(4aS,4bR,7S,8aR)-7-ethenyl-1,1,4b,7-tetramethyl-3,4,4a,5,6,8,8a,9-octahydro-2H-phenanthrene

CAS Registry Number

Not Available

SMILES

[H][C@]12CC=C3[C@@]([H])(CCCC3(C)C)[C@]1(C)CC[C@@](C)(C2)C=C

InChI Identifier

InChI=1S/C20H32/c1-6-19(4)12-13-20(5)15(14-19)9-10-16-17(20)8-7-11-18(16,2)3/h6,10,15,17H,1,7-9,11-14H2,2-5H3/t15-,17-,19+,20-/m1/s1

InChI Key

BAIWMJSLFJWAQP-WSTLGDPDSA-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
Cryptomeria japonica	LOTUS Database	35616633
Dacrydium cupressinum	LOTUS Database	35616633
Dacrydium nausoriense	LOTUS Database	35616633
Hyptis suaveolens	LOTUS Database	35616633
Lepidothamnus intermedius	LOTUS Database	35616633
Prumnopitys andina	LOTUS Database	35616633
Prumnopitys ferruginoides	LOTUS Database	35616633
Richea continentis	LOTUS Database	35616633
Thuja occidentalis	LOTUS Database	35616633
Thuja standishii	LOTUS Database	35616633
Thujopsis dolabrata	LOTUS Database	35616633
Thymus capitatus	Plant	KNApSAcK
Xylopia sericea	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

Sesquiterpenoid
Phenanthrene
Hydrophenanthrene
Polycyclic hydrocarbon
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	6.84	ALOGPS
logP	5.88	ChemAxon
logS	-6.3	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	88.62 m³·mol⁻¹	ChemAxon
Polarizability	34.67 Å³	ChemAxon
Number of Rings	3	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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

57259822

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12314971

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Kupeli Akkol E, Ilhan M, Ayse Demirel M, Keles H, Tumen I, Suntar I: Thuja occidentalis L. and its active compound, alpha-thujone: Promising effects in the treatment of polycystic ovary syndrome without inducing osteoporosis. J Ethnopharmacol. 2015 Jun 20;168:25-30. doi: 10.1016/j.jep.2015.03.029. Epub 2015 Mar 27. [PubMed:25818694 ]
Tsiri D, Graikou K, Poblocka-Olech L, Krauze-Baranowska M, Spyropoulos C, Chinou I: Chemosystematic value of the essential oil composition of Thuja species cultivated in Poland-antimicrobial activity. Molecules. 2009 Nov 19;14(11):4707-15. doi: 10.3390/molecules14114707. [PubMed:19935470 ]
Takahashi K, Nagahama S, Nakashima T, Suenaga H: Chemotaxonomy on the leaf constituents of Thujopsis dolabrata Sieb. et Zucc.-Analysis of neutral extracts (diterpene hydrocarbon). Biochem Syst Ecol. 2001 Aug;29(8):839-848. doi: 10.1016/s0305-1978(01)00026-6. [PubMed:11412956 ]

Showing NP-Card for Rimuene (NP0084382)

MOL for NP0084382 (Rimuene)

3D MOL for NP0084382 (Rimuene)

3D SDF for NP0084382 (Rimuene)

3D-SDF for NP0084382 (Rimuene)

PDB for NP0084382 (Rimuene)

3D PDB for NP0084382 (Rimuene)

SMILES for NP0084382 (Rimuene)

INCHI for NP0084382 (Rimuene)

Structure for NP0084382 (Rimuene)

3D Structure for NP0084382 (Rimuene)