NP-MRD: Showing NP-Card for Isokaurene (NP0084127)

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Record Information

Version

2.0

Created at

2022-04-29 04:57:22 UTC

Updated at

2022-04-29 04:57:22 UTC

NP-MRD ID

NP0084127

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Isokaurene

Description

Ent-isokaurene, also known as kaur-15-ene or kryptomeren, belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. Isokaurene is found in Halocarpus bidwillii, Halocarpus biformis and Xylopia sericea . Isokaurene was first documented in 2015 (PMID: 25758958). Based on a literature review a small amount of articles have been published on ent-isokaurene (PMID: 31527844) (PMID: 29241565) (PMID: 28170228) (PMID: 27771250).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 52 55  0  0  0  0  0  0  0  0999 V2000
    4.5686    1.7052   -1.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5014    1.0056   -0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2990    1.5019   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4803    0.4382    0.6783 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5513    1.0040    1.6884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7689    1.4498    1.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2924    0.6036    0.0273 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7773    0.5471   -0.0433 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4464    1.1337    1.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3315    1.4060   -1.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3489   -0.8240   -0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6385   -1.6693   -1.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1578   -1.4515   -1.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6129   -0.7446   -0.0447 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8436   -1.6088    1.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8568   -0.4700   -0.3265 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6591   -1.7131   -0.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0925   -1.3392   -0.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6272   -0.3655    0.2781 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6185   -0.2654    1.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2149    2.0486   -2.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9756    2.5777   -0.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4221    1.0269   -1.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9157    2.4885   -0.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4345    0.2878    2.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0650    1.8958    2.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4772    1.4953    2.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6556    2.5254    0.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9445    1.1350   -0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2518    2.2061    1.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5527    1.0481    0.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2705    0.5266    2.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6991    2.3081   -1.2383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3638    1.7584   -0.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3883    0.8409   -2.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4951   -1.3152    0.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4050   -0.6808   -0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0477   -1.5044   -2.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9002   -2.7445   -0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8634   -0.8867   -2.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6907   -2.4774   -1.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4327   -2.5378    0.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4122   -1.1245    1.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0854   -2.0051    1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8611    0.0744   -1.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3288   -2.2344   -1.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5631   -2.4577    0.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1919   -0.9147   -1.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -2.2377   -0.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364   -0.5928    0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9864    0.3990    2.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3666   -1.2727    1.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  1
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  1
  4  3  1  0
  3  2  2  0
  2  1  1  0
  4 16  1  0
 14  7  1  0
 14 16  1  0
  2 19  1  0
 16 45  1  6
 17 46  1  0
 17 47  1  0
 18 48  1  0
 18 49  1  0
 19 50  1  1
 20 51  1  0
 20 52  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  0
  6 28  1  0
  7 29  1  6
  9 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  0
 10 34  1  0
 10 35  1  0
 11 36  1  0
 11 37  1  0
 12 38  1  0
 12 39  1  0
 13 40  1  0
 13 41  1  0
 15 42  1  0
 15 43  1  0
 15 44  1  0
  3 24  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
M  END


  Mrv1652304292206572D          

 22 25  0  0  1  0            999 V2000
    0.0435   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8566   -0.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4794    0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2893    0.0832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5946    0.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4039    1.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9582    0.4175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5151   -0.1912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7638    0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4599    1.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3206   -0.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0719   -0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2663   -0.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7095   -0.3691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4700   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8883   -0.5708    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0850   -0.7585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6431   -1.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7976   -1.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2377   -0.9152    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8140   -0.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 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
  7 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  6  0  0  0
  4 22  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0084127

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CC[C@@H]3C[C@@]1(CC[C@]1([H])C(C)(C)CCC[C@@]21C)C=C3C

> <INCHI_IDENTIFIER>
InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16-,17+,19-,20-/m1/s1

> <INCHI_KEY>
DQUHDYWUEKWRLN-HPUSYDDDSA-N

> <FORMULA>
C20H32

> <MOLECULAR_WEIGHT>
272.476

> <EXACT_MASS>
272.25040103

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
34.60061769059827

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,4R,9R,10S,13R)-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-ene

> <ALOGPS_LOGP>
5.64

> <JCHEM_LOGP>
5.558204495

> <ALOGPS_LOGS>
-6.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
86.71889999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.18e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4R,9R,10S,13R)-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-ene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0       0.081  -0.001   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.599  -0.263   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.761   0.870   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.273   0.155   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.843   1.624   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.354   1.935   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.389   0.779   0.000  0.00  0.00           C+0
HETATM    8  H   UNK     0       8.428  -0.357   0.000  0.00  0.00           H+0
HETATM    9  C   UNK     0       8.892   1.111   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.304   2.535   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.192   1.938   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.932  -0.025   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.468  -1.493   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.964  -1.825   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.924  -0.689   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.477  -2.163   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.392  -1.066   0.000  0.00  0.00           C+0
HETATM   18  H   UNK     0       3.892  -1.416   0.000  0.00  0.00           H+0
HETATM   19  C   UNK     0       4.934  -2.642   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.356  -2.939   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.310  -1.708   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.386  -0.839   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   17   22                                             
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   15                                             
CONECT    8    7                                                            
CONECT    9    7   10   11   12                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14    7   16   17                                             
CONECT   16   15                                                            
CONECT   17   15    4   18   19                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20    2   22                                                  
CONECT   22   21    4                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   50    0
END

View in JSmol

Synonyms

Value	Source
(5beta,8alpha,9beta,10alpha,13alpha)-Kaur-15-ene	ChEBI
Kaur-15-ene	Kegg
Kryptomeren	Kegg
(5b,8a,9b,10a,13a)-Kaur-15-ene	Generator
(5Β,8α,9β,10α,13α)-kaur-15-ene	Generator

Chemical Formula

C₂₀H₃₂

Average Mass

272.4760 Da

Monoisotopic Mass

272.25040 Da

IUPAC Name

(1S,4R,9R,10S,13R)-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-ene

Traditional Name

(1S,4R,9R,10S,13R)-5,5,9,14-tetramethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-ene

CAS Registry Number

Not Available

SMILES

[H][C@@]12CC[C@@H]3C[C@@]1(CC[C@]1([H])C(C)(C)CCC[C@@]21C)C=C3C

InChI Identifier

InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3/t15-,16-,17+,19-,20-/m1/s1

InChI Key

DQUHDYWUEKWRLN-HPUSYDDDSA-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
Halocarpus bidwillii	LOTUS Database	35616633
Halocarpus biformis	LOTUS Database	35616633
Xylopia sericea	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Kaurane diterpenoids

Alternative Parents

Substituents

Kaurane diterpenoid
Branched unsaturated hydrocarbon
Polycyclic hydrocarbon
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

diterpene (CHEBI:50783 )

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	5.64	ALOGPS
logP	5.56	ChemAxon
logS	-6.5	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	86.72 m³·mol⁻¹	ChemAxon
Polarizability	34.6 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	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

C00053366

Chemspider ID

21865808

KEGG Compound ID

C20145

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12311059

PDB ID

Not Available

ChEBI ID

50783

Good Scents ID

Not Available

References

General References

Ding Y, Murphy KM, Poretsky E, Mafu S, Yang B, Char SN, Christensen SA, Saldivar E, Wu M, Wang Q, Ji L, Schmitz RJ, Kremling KA, Buckler ES, Shen Z, Briggs SP, Bohlmann J, Sher A, Castro-Falcon G, Hughes CC, Huffaker A, Zerbe P, Schmelz EA: Multiple genes recruited from hormone pathways partition maize diterpenoid defences. Nat Plants. 2019 Oct;5(10):1043-1056. doi: 10.1038/s41477-019-0509-6. Epub 2019 Sep 16. [PubMed:31527844 ]
Li X, He Y, Yang J, Jia YH, Zeng HL: Gene mapping and transcriptome profiling of a practical photo-thermo-sensitive rice male sterile line with seedling-specific green-revertible albino leaf. Plant Sci. 2018 Jan;266:37-45. doi: 10.1016/j.plantsci.2017.10.010. Epub 2017 Oct 31. [PubMed:29241565 ]
Jia M, Zhou K, Tufts S, Schulte S, Peters RJ: A Pair of Residues That Interactively Affect Diterpene Synthase Product Outcome. ACS Chem Biol. 2017 Mar 17;12(3):862-867. doi: 10.1021/acschembio.6b01075. Epub 2017 Feb 14. [PubMed:28170228 ]
Toyomasu T, Miyamoto K, Shenton MR, Sakai A, Sugawara C, Horie K, Kawaide H, Hasegawa M, Chuba M, Mitsuhashi W, Yamane H, Kurata N, Okada K: Characterization and evolutionary analysis of ent-kaurene synthase like genes from the wild rice species Oryza rufipogon. Biochem Biophys Res Commun. 2016 Nov 18;480(3):402-408. doi: 10.1016/j.bbrc.2016.10.062. Epub 2016 Oct 19. [PubMed:27771250 ]
Kitaoka N, Wu Y, Xu M, Peters RJ: Optimization of recombinant expression enables discovery of novel cytochrome P450 activity in rice diterpenoid biosynthesis. Appl Microbiol Biotechnol. 2015 Sep;99(18):7549-58. doi: 10.1007/s00253-015-6496-2. Epub 2015 Mar 12. [PubMed:25758958 ]

Showing NP-Card for Isokaurene (NP0084127)

MOL for NP0084127 (Isokaurene)

3D MOL for NP0084127 (Isokaurene)

3D SDF for NP0084127 (Isokaurene)

3D-SDF for NP0084127 (Isokaurene)

PDB for NP0084127 (Isokaurene)

3D PDB for NP0084127 (Isokaurene)

SMILES for NP0084127 (Isokaurene)

INCHI for NP0084127 (Isokaurene)

Structure for NP0084127 (Isokaurene)

3D Structure for NP0084127 (Isokaurene)