NP-MRD: Showing NP-Card for (+)-Pomiferin A (NP0073684)

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Record Information

Version

2.0

Created at

2022-04-28 18:54:34 UTC

Updated at

2022-04-28 18:54:34 UTC

NP-MRD ID

NP0073684

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-Pomiferin A

Description

Dehydroabietadienol, also known as dehydroabeityl alcohol, belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Thus, dehydroabietadienol is considered to be an isoprenoid lipid molecule. (+)-Pomiferin A is found in Abies firma, Abies pinsapo, Calceolaria pinifolia, Cedrus atlantica, Mesosphaerum suaveolens, Juniperus brevifolia, Juniperus chinensis, Larix decidua, Larix gmelinii, Larix kaempferi, Pinus densiflora, Pinus mugo subsp. Mugo , Pinus sibirica, Pinus sylvestris, Pinus yunnanensis, Pseudotsuga wilsoniana, Salvia pomifera and Tripterygium wilfordii . (+)-Pomiferin A was first documented in 2005 (PMID: 15911762). Dehydroabietadienol 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
    5.6043   -0.8189   -0.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8028    0.4010   -0.3908 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3070    1.0159    0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3589    0.1438   -0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8921   -0.7566    0.6910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5222   -0.9808    0.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6005   -0.3190    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0627    0.5855   -0.8946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    0.7970   -1.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1415    1.3582   -1.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1847    0.5885   -1.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6565    0.4180   -0.4538 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8335   -0.6341    0.2544 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0646   -2.0193   -0.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1696   -0.6439    1.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6546   -0.8997    1.8869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4861    0.0814    1.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1238    0.2957   -0.2931 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7639   -0.7172   -1.2108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7498    1.6552   -0.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1548    1.5582   -0.5008 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910   -1.3328    0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5348   -0.4743   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1004   -1.5112   -1.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9446    1.1486   -1.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8330    2.0360    0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0843    0.3957    1.7752 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4084    1.2142    0.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5734   -1.3036    1.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2445   -1.7109    1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8206    1.5162   -1.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0735    2.3120   -1.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6065    1.4743   -2.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8998    1.2138   -2.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0080   -0.3973   -2.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3744    1.3889    0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963   -2.1342   -1.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0726   -2.4049   -0.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3842   -2.6926    0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.2924    2.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566   -1.5017    2.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8537   -0.7444    2.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8853   -1.9521    1.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5596   -0.2437    1.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3986    1.0786    1.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0705   -1.1629   -1.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6047   -0.2882   -1.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2509   -1.4867   -0.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6167    1.8755   -1.7335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3197    2.4752   -0.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4330    1.8115    0.4106 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  6
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  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  1
 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
 20 50  1  0
 21 51  1  0
  2 25  1  6
  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


  Mrv1652309272006272D          

 22 24  0  0  0  0            999 V2000
10009.501710011.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10012.360910011.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.076410011.4358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10012.360910012.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.788010010.6112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.073810010.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.502610010.1987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10010.216710008.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.931110009.3735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.502210008.6604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
10008.073310009.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.503110009.3738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10008.271410008.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.314610008.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.788010008.9611    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10007.455010008.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10011.646610011.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.931510011.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.216310011.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.216210010.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.931410010.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.646710010.6105    0.0000 C   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  9  1  0  0  0  0
  7  1  1  1  0  0  0
 12 10  1  6  0  0  0
  6 11  1  0  0  0  0
 12  7  1  0  0  0  0
 12  8  1  0  0  0  0
 15 13  1  6  0  0  0
 15 14  1  0  0  0  0
 13 16  1  0  0  0  0
 11 15  1  0  0  0  0
 15 12  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20  7  1  0  0  0  0
 17  2  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0073684

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1

> <INCHI_KEY>
WSKGRAGZAQRSED-SLFFLAALSA-N

> <FORMULA>
C20H30O

> <MOLECULAR_WEIGHT>
286.459

> <EXACT_MASS>
286.229665586

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
35.848007005256356

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <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-octahydrophenanthren-1-yl]methanol

> <ALOGPS_LOGP>
5.68

> <JCHEM_LOGP>
5.276300972333335

> <ALOGPS_LOGS>
-6.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.108638907352894

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7512813419238435

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
89.5015

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.14e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dehydroabietinol

> <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    8684.4038687.244   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8689.7408688.783   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8691.0768688.014   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8689.7408690.323   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8683.0718686.474   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8681.7388685.704   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8684.4058685.704   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8685.7388683.394   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8687.0718684.164   0.000  0.00  0.00           C+0
HETATM   10  H   UNK     0    8684.4048682.833   0.000  0.00  0.00           H+0
HETATM   11  C   UNK     0    8681.7378684.164   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8684.4068684.164   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8682.1078682.191   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8684.0548682.210   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8683.0718683.394   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0    8680.5838682.425   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0    8688.4078688.014   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8687.0728688.785   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8685.7378688.014   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8685.7378686.473   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8687.0728685.702   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8688.4078686.473   0.000  0.00  0.00           C+0
CONECT    1    7                                                            
CONECT    2    3    4   17                                                  
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    6    7                                                       
CONECT    6    5   11                                                       
CONECT    7    5    1   12   20                                             
CONECT    8    9   12                                                       
CONECT    9    8   21                                                       
CONECT   10   12                                                            
CONECT   11    6   15                                                       
CONECT   12   10    7    8   15                                             
CONECT   13   15   16                                                       
CONECT   14   15                                                            
CONECT   15   13   14   11   12                                             
CONECT   16   13                                                            
CONECT   17   18   22    2                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21    7                                                  
CONECT   21   20   22    9                                                  
CONECT   22   21   17                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
[(1R,4AS,10ar)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methanol	ChEBI
Dehydroabeityl alcohol	ChEBI
Dehydroabietinol	ChEBI
Dehydroabietol	ChEBI
13-Isopropylpodocarpa-8,11,13-trien-15-ol	PhytoBank
Dehydroabietanol	PhytoBank
Dehydroabietyl alcohol	PhytoBank
Pomiferin A	PhytoBank
ar-Abietatrienol	PhytoBank

Chemical Formula

C₂₀H₃₀O

Average Mass

286.4590 Da

Monoisotopic Mass

286.22967 Da

IUPAC Name

[(1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]methanol

Traditional Name

dehydroabietinol

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18,21H,5,7,9-11,13H2,1-4H3/t18-,19-,20+/m0/s1

InChI Key

WSKGRAGZAQRSED-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
Abies firma	LOTUS Database	35616633
Abies pinsapo	LOTUS Database	35616633
Calceolaria pinifolia	LOTUS Database	35616633
Cedrus atlantica	LOTUS Database	35616633
Hyptis suaveolens	LOTUS Database	35616633
Juniperus brevifolia	Plant	KNApSAcK
Juniperus chinensis	LOTUS Database	35616633
Larix decidua	LOTUS Database	35616633
Larix gmelini	LOTUS Database	35616633
Larix kaempferi	LOTUS Database	35616633
Pinus densiflora	LOTUS Database	35616633
Pinus mugo subsp. Mugo	Plant	KNApSAcK
Pinus sibirica	Plant	KNApSAcK
Pinus sylvestris	LOTUS Database	35616633
Pinus yunnanensis	LOTUS Database	35616633
Pseudotsuga wilsoniana	Plant	KNApSAcK
Salvia pomifera	LOTUS Database	35616633
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
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

abietane diterpenoid (CHEBI:52486 )
carbotricyclic compound (CHEBI:52486 )
Abietane diterpenoids (LMPR0104050010 )

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	5.68	ALOGPS
logP	5.28	ChemAxon
logS	-6.1	ALOGPS
pKa (Strongest Acidic)	15.11	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	89.5 m³·mol⁻¹	ChemAxon
Polarizability	35.85 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

10263945

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15586718

PDB ID

Not Available

ChEBI ID

52486

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 (+)-Pomiferin A (NP0073684)

MOL for NP0073684 ((+)-Pomiferin A)

3D MOL for NP0073684 ((+)-Pomiferin A)

3D SDF for NP0073684 ((+)-Pomiferin A)

3D-SDF for NP0073684 ((+)-Pomiferin A)

PDB for NP0073684 ((+)-Pomiferin A)

3D PDB for NP0073684 ((+)-Pomiferin A)

SMILES for NP0073684 ((+)-Pomiferin A)

INCHI for NP0073684 ((+)-Pomiferin A)

Structure for NP0073684 ((+)-Pomiferin A)

3D Structure for NP0073684 ((+)-Pomiferin A)