NP-MRD: Showing NP-Card for Dehydroabietadienal (NP0074705)

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Record Information

Version

2.0

Created at

2022-04-28 20:00:50 UTC

Updated at

2022-04-28 20:00:50 UTC

NP-MRD ID

NP0074705

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Dehydroabietadienal

Description

Dehydroabietadienal belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Thus, dehydroabietadienal is considered to be an isoprenoid lipid molecule. Dehydroabietadienal is found in Cedrus atlantica, Juniperus phoenicea , Juniperus thurifera, Juniperus thurifera var.africana, Larix gmelinii, Larix gmelinii, Larix kaempferi, Picea koraiensis, Picea obovata, Picea orientalis, Sitka spruce, Pinus brutia, Pinus koraiensis , Pinus mugo subsp. Mugo , Pinus sibirica, Pinus taeda and Tripterygium wilfordii . Dehydroabietadienal was first documented in 2005 (PMID: 15911762). Dehydroabietadienal is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 51  0  0  0  0  0  0  0  0999 V2000
    5.2821    0.8279    0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5592   -0.4860    0.4704 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1176   -1.0675   -0.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0999   -0.2180    0.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7515    0.6125   -0.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187    0.8661   -0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4088    0.3241   -0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7869   -0.5048    0.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1423   -0.7757    1.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1665   -1.1578    1.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4520   -0.3780    1.7783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8571   -0.3094    0.3010 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0253    0.6638   -0.4494 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2473    2.0967   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3253    0.4999   -1.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5059   -0.3830   -2.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6898   -0.0528   -1.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3404   -0.1330    0.1576 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8896    1.0031    0.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9583   -1.3912    0.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3004   -2.3206    0.0110 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9199    1.3179    1.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3637    0.6045    0.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1003    1.4821   -0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7392   -1.1643    1.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9651   -1.7795   -0.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5838   -0.2526   -1.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116   -1.5950   -1.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5253    1.0412   -1.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1471    1.5198   -1.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4546   -1.4319    1.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3768   -2.1798    1.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2489   -1.2255    2.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2597   -0.8216    2.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2428    0.6410    2.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289   -1.3274   -0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9754    2.3424    0.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2371    2.4685   -0.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226    2.6967   -0.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261    1.4987   -2.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4387    0.0141   -2.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2693   -1.4462   -2.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8592   -0.1488   -3.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1187    0.9486   -1.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4864   -0.7836   -1.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4122    1.7383    0.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6880    0.6736    1.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1218    1.4954    1.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1047   -1.4672    1.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0
 11 10  1  0
 10  8  1  0
  8  9  2  0
  9  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  2  0
  4  2  1  0
  2  1  1  0
  2  3  1  0
 13 12  1  0
 18 12  1  0
  7  8  1  0
 12 36  1  6
 11 34  1  0
 11 35  1  0
 10 32  1  0
 10 33  1  0
  9 31  1  0
  5 29  1  0
  6 30  1  0
 14 37  1  0
 14 38  1  0
 14 39  1  0
 15 40  1  0
 15 41  1  0
 16 42  1  0
 16 43  1  0
 17 44  1  0
 17 45  1  0
 19 46  1  0
 19 47  1  0
 19 48  1  0
 20 49  1  0
  2 25  1  1
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 26  1  0
  3 27  1  0
  3 28  1  0
M  END


  Mrv1652309272006302D          

 22 24  0  0  0  0            999 V2000
10011.794610013.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.654110013.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10015.369710013.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.654110014.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.081110012.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.366610012.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.795510012.2298    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10012.509710012.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10012.509710010.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.224210011.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.224210012.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.939310013.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.224810013.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10012.510310013.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.939310012.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.795110010.6914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
10010.366210011.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.796010011.4048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10010.564310010.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.607510010.3577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.081010010.9921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10009.747910010.4729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 12  1  0  0  0  0
 12  2  1  0  0  0  0
 14  8  2  0  0  0  0
 11 15  2  0  0  0  0
  8  7  1  0  0  0  0
  7  1  1  1  0  0  0
 18 16  1  6  0  0  0
 21 19  1  6  0  0  0
 21 20  1  0  0  0  0
 19 22  2  0  0  0  0
 17 21  1  0  0  0  0
 21 18  1  0  0  0  0
  6 17  1  0  0  0  0
 18  7  1  0  0  0  0
 18  9  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0074705

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CCC3=CC(=CC=C3[C@@]1(C)CCC[C@@]2(C)C=O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1

> <INCHI_KEY>
YCLCHPWRGSDZKL-SLFFLAALSA-N

> <FORMULA>
C20H28O

> <MOLECULAR_WEIGHT>
284.443

> <EXACT_MASS>
284.214015522

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
34.91252733324955

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carbaldehyde

> <ALOGPS_LOGP>
5.77

> <JCHEM_LOGP>
5.590148475666669

> <ALOGPS_LOGS>
-6.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.097392080777314

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
88.51859999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.15e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dehydroabietal

> <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    8688.6838691.035   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8694.0218692.575   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8695.3578691.805   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8694.0218694.115   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8687.3518690.266   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8686.0188689.496   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8688.6858689.496   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8690.0188690.266   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8690.0188687.186   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8691.3528687.955   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8691.3528689.496   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8692.6878691.805   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8691.3538692.575   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8690.0198691.805   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8692.6878690.265   0.000  0.00  0.00           C+0
HETATM   16  H   UNK     0    8688.6848686.624   0.000  0.00  0.00           H+0
HETATM   17  C   UNK     0    8686.0178687.956   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8688.6868687.956   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8686.3878685.982   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8688.3348686.001   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8687.3518687.185   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0    8684.8638686.216   0.000  0.00  0.00           O+0
CONECT    1    7                                                            
CONECT    2    3    4   12                                                  
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    6    7                                                       
CONECT    6    5   17                                                       
CONECT    7    5    8    1   18                                             
CONECT    8   11   14    7                                                  
CONECT    9   10   18                                                       
CONECT   10    9   11                                                       
CONECT   11    8   10   15                                                  
CONECT   12   13   15    2                                                  
CONECT   13   12   14                                                       
CONECT   14   13    8                                                       
CONECT   15   12   11                                                       
CONECT   16   18                                                            
CONECT   17   21    6                                                       
CONECT   18   16   21    7    9                                             
CONECT   19   21   22                                                       
CONECT   20   21                                                            
CONECT   21   19   20   17   18                                             
CONECT   22   19                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
Dehydroabietal	ChEBI
Dehydroabietic aldehyde	ChEBI
Dehydroabietinal	ChEBI
13-Isopropylpodocarpa-8,11,13-triene-15-aldehyde	PhytoBank

Chemical Formula

C₂₀H₂₈O

Average Mass

284.4430 Da

Monoisotopic Mass

284.21402 Da

IUPAC Name

(1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carbaldehyde

Traditional Name

dehydroabietal

CAS Registry Number

Not Available

SMILES

[H][C@@]12CCC3=CC(=CC=C3[C@@]1(C)CCC[C@@]2(C)C=O)C(C)C

InChI Identifier

InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1

InChI Key

YCLCHPWRGSDZKL-SLFFLAALSA-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
Cedrus atlantica	LOTUS Database	35616633
Juniperus phoenicea	Plant	KNApSAcK
Juniperus thurifera	LOTUS Database	35616633
Juniperus thurifera var.africana	Plant	KNApSAcK
Larix gmelini	LOTUS Database	35616633
Larix gmelinii var. olgensis	LOTUS Database	35616633
Larix kaempferi	LOTUS Database	35616633
Picea koraiensis	LOTUS Database	35616633
Picea obovata	LOTUS Database	35616633
Picea orientalis	LOTUS Database	35616633
Picea sitchensis	-	KNApSAcK
Pinus brutia	LOTUS Database	35616633
Pinus koraiensis	Plant	KNApSAcK
Pinus mugo subsp. Mugo	Plant	KNApSAcK
Pinus sibirica	Plant	KNApSAcK
Pinus taeda	Plant	KNApSAcK
Tripterygium wilfordii	Plant	KNApSAcK

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

Diterpenoid
Abietane diterpenoid
Phenanthrene
Hydrophenanthrene
Tetralin
Benzenoid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aldehyde
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

abietane diterpenoid (CHEBI:52487 )
carbotricyclic compound (CHEBI:52487 )
Abietane diterpenoids (LMPR0104050011 )

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	5.77	ALOGPS
logP	5.59	ChemAxon
logS	-6.6	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	88.52 m³·mol⁻¹	ChemAxon
Polarizability	34.91 Å³	ChemAxon
Number of Rings	3	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

Not Available

Chemspider ID

9869594

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11694869

PDB ID

Not Available

ChEBI ID

52487

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 Dehydroabietadienal (NP0074705)

MOL for NP0074705 (Dehydroabietadienal)

3D MOL for NP0074705 (Dehydroabietadienal)

3D SDF for NP0074705 (Dehydroabietadienal)

3D-SDF for NP0074705 (Dehydroabietadienal)

PDB for NP0074705 (Dehydroabietadienal)

3D PDB for NP0074705 (Dehydroabietadienal)

SMILES for NP0074705 (Dehydroabietadienal)

INCHI for NP0074705 (Dehydroabietadienal)

Structure for NP0074705 (Dehydroabietadienal)

3D Structure for NP0074705 (Dehydroabietadienal)