NP-MRD: Showing NP-Card for Isopimarinal (NP0084135)

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Record Information

Version

2.0

Created at

2022-04-29 04:57:40 UTC

Updated at

2022-04-29 04:57:40 UTC

NP-MRD ID

NP0084135

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Isopimarinal

Description

Isopimara-7,15-dienal, also known as isopimaral, belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Thus, isopimara-7,15-dienal is considered to be an isoprenoid lipid molecule. Isopimarinal is found in Halocarpus bidwillii, Larix gmelinii, Larix kaempferi, Picea koraiensis, Picea obovata, Picea orientalis, Pinus brutia, Pinus densiflora, Pinus koraiensis , Pinus sibirica and Salvia caespitosa. Isopimarinal was first documented in 2005 (PMID: 15911762). Isopimara-7,15-dienal is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 51 53  0  0  0  0  0  0  0  0999 V2000
    4.4413    1.3822   -1.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5538    0.2250   -0.9042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3777   -0.3547   -0.1994 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8342   -1.6648    0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9183    0.6176    0.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5323    0.3498    1.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5864    0.4169    0.1745 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9707   -0.7044   -0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1650   -1.6831   -0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079   -1.7130   -0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6752   -0.2727   -0.4281 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1410   -0.1217   -0.3216 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7243   -1.4099    0.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6843   -0.1492   -1.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4642    0.6749   -2.1429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6716    1.0390    0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7384    2.0909    0.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3074    1.9173    0.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8437    0.4737    0.5575 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0608    0.0488    1.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3441   -0.6781   -1.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2641    1.8459   -2.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4934    1.8940   -1.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5180   -0.2659   -0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0486   -2.0772    1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0946   -2.3725   -0.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7776   -1.4247    1.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544    1.6597    0.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6133    0.5625    1.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3347    1.1285    2.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5403   -0.6639    1.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8947    1.3823   -0.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5080   -2.4844   -1.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709   -2.3100   -1.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2073   -2.1456    0.6211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3518    0.1223   -1.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8246   -2.2069   -0.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7786   -1.1934    0.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1463   -1.7928    1.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3124   -0.9720   -2.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2587    0.6974    1.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4742    1.5302   -0.2238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7380    2.2159    1.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0366    3.1127    0.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    2.6076    1.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1954    2.1941   -0.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5403   -0.8687    2.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6186    0.8742    2.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    0.0669    2.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5846   -1.6635   -1.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377    0.0626   -2.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  1  1
  3 21  1  0
 21  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  1
 12 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  1
 12 14  1  0
 14 15  2  0
  3  2  1  0
  2  1  2  3
  8  7  1  0
 19 11  1  0
 19  7  1  0
  7 32  1  6
  6 30  1  0
  6 31  1  0
  5 28  1  0
  5 29  1  0
  4 25  1  0
  4 26  1  0
  4 27  1  0
 21 50  1  0
 21 51  1  0
  9 33  1  0
 10 34  1  0
 10 35  1  0
 11 36  1  6
 13 37  1  0
 13 38  1  0
 13 39  1  0
 16 41  1  0
 16 42  1  0
 17 43  1  0
 17 44  1  0
 18 45  1  0
 18 46  1  0
 20 47  1  0
 20 48  1  0
 20 49  1  0
 14 40  1  0
  2 24  1  0
  1 22  1  0
  1 23  1  0
M  END


  Mrv1652309272006312D          

 23 25  0  0  0  0            999 V2000
 9999.303610000.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.160910001.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.876010001.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.447810001.9955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0195 9999.5227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9998.590310000.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8758 9999.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3048 9999.9357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.732710001.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.018210001.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.018210000.3472    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.7327 9999.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.447210000.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.447210001.1723    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.0179 9998.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7324 9999.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3034 9998.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8763 9999.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3043 9999.1106    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.0741 9998.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.1162 9998.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5902 9998.6984    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.2587 9998.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  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
  8  1  1  1  0  0  0
 14  2  1  0  0  0  0
 14  4  1  1  0  0  0
 11  5  1  6  0  0  0
 11  8  1  0  0  0  0
 16 12  2  0  0  0  0
 19 17  1  6  0  0  0
 22 20  1  6  0  0  0
 22 21  1  0  0  0  0
 20 23  2  0  0  0  0
 18 22  1  0  0  0  0
 22 19  1  0  0  0  0
  7 18  1  0  0  0  0
 19  8  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0084135

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12CC[C@@](C)(CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C=O)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,14,16-17H,1,6,8-13H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1

> <INCHI_KEY>
NLLZQKHFTCHPED-VYJAJWGXSA-N

> <FORMULA>
C20H30O

> <MOLECULAR_WEIGHT>
286.459

> <EXACT_MASS>
286.229665586

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
35.03466730612758

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carbaldehyde

> <ALOGPS_LOGP>
4.88

> <JCHEM_LOGP>
4.908568326666668

> <ALOGPS_LOGS>
-5.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.097384629668457

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
89.40939999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.16e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
isopimaral

> <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    8665.3678668.087   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8670.7008669.626   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8672.0358668.853   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8669.3698670.392   0.000  0.00  0.00           C+0
HETATM    5  H   UNK     0    8666.7038665.776   0.000  0.00  0.00           H+0
HETATM    6  C   UNK     0    8664.0358667.317   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8662.7018666.547   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8665.3698666.547   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8668.0348669.625   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8666.7018668.855   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8666.7018667.315   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8668.0348666.545   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8669.3688667.315   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8669.3688668.855   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8666.7008664.237   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8668.0348665.007   0.000  0.00  0.00           C+0
HETATM   17  H   UNK     0    8665.3668663.676   0.000  0.00  0.00           H+0
HETATM   18  C   UNK     0    8662.7028665.006   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8665.3688665.006   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8663.0728663.035   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8665.0178663.054   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8664.0358664.237   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0    8661.5508663.269   0.000  0.00  0.00           O+0
CONECT    1    8                                                            
CONECT    2    3   14                                                       
CONECT    3    2                                                            
CONECT    4   14                                                            
CONECT    5   11                                                            
CONECT    6    7    8                                                       
CONECT    7    6   18                                                       
CONECT    8    6    1   11   19                                             
CONECT    9   10   14                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12    5    8                                             
CONECT   12   11   13   16                                                  
CONECT   13   12   14                                                       
CONECT   14    9   13    2    4                                             
CONECT   15   16   19                                                       
CONECT   16   15   12                                                       
CONECT   17   19                                                            
CONECT   18   22    7                                                       
CONECT   19   17   22    8   15                                             
CONECT   20   22   23                                                       
CONECT   21   22                                                            
CONECT   22   20   21   18   19                                             
CONECT   23   20                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
(1R,4AR,4BS,7S)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde	ChEBI
Isopimaral	ChEBI
Isopimarinal	ChEBI
Isodextropimarinal	PhytoBank
7,15-Isopimaradien-18-al	PhytoBank

Chemical Formula

C₂₀H₃₀O

Average Mass

286.4590 Da

Monoisotopic Mass

286.22967 Da

IUPAC Name

(1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carbaldehyde

Traditional Name

isopimaral

CAS Registry Number

Not Available

SMILES

[H][C@]12CC[C@@](C)(CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C=O)C=C

InChI Identifier

InChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,14,16-17H,1,6,8-13H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1

InChI Key

NLLZQKHFTCHPED-VYJAJWGXSA-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
Larix gmelini	LOTUS Database	35616633
Larix kaempferi	LOTUS Database	35616633
Picea koraiensis	LOTUS Database	35616633
Picea obovata	LOTUS Database	35616633
Picea orientalis	LOTUS Database	35616633
Pinus brutia	LOTUS Database	35616633
Pinus densiflora	LOTUS Database	35616633
Pinus koraiensis	Plant	KNApSAcK
Pinus sibirica	Plant	KNApSAcK
Salvia caespitosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Pimarane diterpenoid
Diterpenoid
Phenanthrene
Hydrophenanthrene
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aldehyde
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

diterpenoid (CHEBI:52485 )
carbotricyclic compound (CHEBI:52485 )
Pimarane diterpenoids (LMPR0104080009 )

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	4.88	ALOGPS
logP	4.91	ChemAxon
logS	-5.8	ALOGPS
pKa (Strongest Basic)	-7.1	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	2	ChemAxon
Refractivity	89.41 m³·mol⁻¹	ChemAxon
Polarizability	35.03 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

Not Available

Chemspider ID

23107024

KEGG Compound ID

C18222

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12311183

PDB ID

Not Available

ChEBI ID

52485

Good Scents ID

Not Available

References

General References

Ro DK, Arimura G, Lau SY, Piers E, Bohlmann J: Loblolly pine abietadienol/abietadienal oxidase PtAO (CYP720B1) is a multifunctional, multisubstrate cytochrome P450 monooxygenase. Proc Natl Acad Sci U S A. 2005 May 31;102(22):8060-5. doi: 10.1073/pnas.0500825102. Epub 2005 May 23. [PubMed:15911762 ]

Showing NP-Card for Isopimarinal (NP0084135)

MOL for NP0084135 (Isopimarinal)

3D MOL for NP0084135 (Isopimarinal)

3D SDF for NP0084135 (Isopimarinal)

3D-SDF for NP0084135 (Isopimarinal)

PDB for NP0084135 (Isopimarinal)

3D PDB for NP0084135 (Isopimarinal)

SMILES for NP0084135 (Isopimarinal)

INCHI for NP0084135 (Isopimarinal)

Structure for NP0084135 (Isopimarinal)

3D Structure for NP0084135 (Isopimarinal)