NP-MRD: Showing NP-Card for 2,3-dinor-8-iso pgf2α (NP0299124)

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Record Information

Version

2.0

Created at

2022-09-10 10:46:27 UTC

Updated at

2022-09-10 10:46:27 UTC

NP-MRD ID

NP0299124

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2,3-dinor-8-iso pgf2α

Description

2,3-Dinor-8-epi-prostaglandin F2alpha, also known as 2,3-dinor-8-iso PGF2ALPHA, belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. Thus, 2,3-dinor-8-epi-prostaglandin F2ALPHA is considered to be an eicosanoid. 2,3-dinor-8-iso pgf2α is found in Apis cerana and Arabidopsis thaliana. Based on a literature review very few articles have been published on 2,3-dinor-8-epi-prostaglandin F2alpha.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 53 53  0  0  0  0  0  0  0  0999 V2000
    3.9512    1.7471   -0.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1100    1.8428    0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352    1.0416    1.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9159   -0.4210    1.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6953   -1.0078    0.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4397   -0.6980    1.5024 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5856   -1.2304    2.7913 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3084   -1.3687    0.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0878   -0.8891    0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9770   -1.6281    0.0439 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5778   -0.8243   -1.0755 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9198    0.5874   -0.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009    1.3453   -1.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    1.8810   -1.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5939    1.7647   -0.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9322    3.1113   -0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4540    4.1293   -0.6379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7750    3.2673    0.9866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7774   -1.6404   -1.4279 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3526   -2.6627   -2.3010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2175   -2.2916   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1693   -1.9346    0.9030 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9365   -3.0171    1.7459 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0224    1.5069   -0.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8025    2.7752   -1.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    1.0169   -1.6323 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2058    2.9468    0.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0801    1.6063   -0.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0152    1.2382    1.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2311    1.4989    2.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7782   -0.7606    0.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1770   -0.9463    2.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5068   -0.8168   -0.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8192   -2.1415    0.7570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2142    0.3747    1.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2570   -0.7672    3.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5009   -2.3165    0.2983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1282    0.0491    1.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6213   -2.5800   -0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8862   -0.7565   -1.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931    0.6574    0.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8977    1.0605   -0.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8840    1.4821   -2.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0244    2.4357   -2.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3505    1.0345    0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5731    1.3912   -1.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7354    2.9087    0.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5734   -1.0817   -1.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3934   -2.5714   -2.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1952   -3.4193   -0.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2272   -2.0247    0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4725   -1.0728    1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931   -3.8317    1.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 22  1  0
 22 23  1  0
 22 21  1  0
 21 19  1  0
 19 20  1  0
 19 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 18  1  0
 16 17  2  0
 11 10  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  1
  7 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  6
 22 52  1  1
 23 53  1  0
 21 50  1  0
 21 51  1  0
 19 48  1  6
 20 49  1  0
 11 40  1  6
 12 41  1  0
 12 42  1  0
 13 43  1  0
 14 44  1  0
 15 45  1  0
 15 46  1  0
 18 47  1  0
M  END


  Mrv1652309102212462D          

 23 23  0  0  1  0            999 V2000
    3.5108   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2253   -3.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9398   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -3.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3687   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0832   -3.9080    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0832   -3.0830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7976   -4.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5121   -3.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2266   -4.3205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9803   -3.9849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1518   -3.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9364   -2.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1079   -2.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4948   -1.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6664   -0.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4510   -0.5021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0533   -0.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5323   -4.5980    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3528   -4.5118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1198   -5.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3128   -5.1410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6997   -5.6930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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  6  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 22  1  0  0  0  0
 22 23  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0299124

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14-,15+,16-,17+/m0/s1

> <INCHI_KEY>
IDKLJIUIJUVJNR-JSEKUSAISA-N

> <FORMULA>
C18H30O5

> <MOLECULAR_WEIGHT>
326.433

> <EXACT_MASS>
326.209324066

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
37.08555087466809

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoic acid

> <JCHEM_LOGP>
1.721917087333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.513964501779899

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.407789238805148

> <JCHEM_PKA_STRONGEST_BASIC>
-1.626315256026511

> <JCHEM_POLAR_SURFACE_AREA>
97.99000000000001

> <JCHEM_REFRACTIVITY>
91.2687

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2,3-dinor-8-iso PGF2α

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0       6.554  -8.065   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.887  -7.295   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.221  -8.065   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.555  -7.295   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.888  -8.065   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.222  -7.295   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      13.222  -5.755   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      14.556  -8.065   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.889  -7.295   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      17.223  -8.065   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      18.630  -7.439   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      18.950  -5.932   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      20.415  -5.456   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      20.735  -3.950   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      19.590  -2.920   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      19.911  -1.413   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      21.375  -0.937   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      18.766  -0.383   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      19.660  -8.583   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      21.192  -8.422   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      18.890  -9.917   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      17.384  -9.597   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      16.239 -10.627   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   22                                                  
CONECT   11   10   12   19                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   11   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   10   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
2,3-Dinor-8-iso PGF2alpha	ChEBI
2,3-Dinor-8-iso prostaglandin F2alpha	ChEBI
2,3-Dinor-8-iso PGF2a	Generator
2,3-Dinor-8-iso PGF2α	Generator
2,3-Dinor-8-iso prostaglandin F2a	Generator
2,3-Dinor-8-iso prostaglandin F2α	Generator
2,3-Dinor-8-epi-prostaglandin F2a	Generator
2,3-Dinor-8-epi-prostaglandin F2α	Generator
2,3-Dinor-8-iso-prostaglandin-F(2alpha)	MeSH
2,3-Dinor-8-epiprostaglandin-F(2alpha)	MeSH
2,3-Dinor-8-iso-PGF2alpha	MeSH

Chemical Formula

C₁₈H₃₀O₅

Average Mass

326.4330 Da

Monoisotopic Mass

326.20932 Da

IUPAC Name

(3Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl]pent-3-enoic acid

Traditional Name

2,3-dinor-8-iso PGF2α

CAS Registry Number

Not Available

SMILES

CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CC(O)=O

InChI Identifier

InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14-,15+,16-,17+/m0/s1

InChI Key

IDKLJIUIJUVJNR-JSEKUSAISA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Apis cerana	LOTUS Database	35616633
Arabidopsis thaliana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Eicosanoids

Direct Parent

Prostaglandins and related compounds

Alternative Parents

Substituents

Prostaglandin skeleton
Medium-chain hydroxy acid
Medium-chain fatty acid
Hydroxy fatty acid
Cyclopentanol
Fatty acid
Unsaturated fatty acid
Cyclic alcohol
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

prostanoid (CHEBI:34230 )
prostaglandin F2alpha (CHEBI:34230 )
Prostaglandins (C14794 )
Isoprostanes (C14794 )
Isoprostanes (LMFA03110010 )

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	1.72	ChemAxon
pKa (Strongest Acidic)	4.41	ChemAxon
pKa (Strongest Basic)	-1.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	97.99 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	91.27 m³·mol⁻¹	ChemAxon
Polarizability	37.09 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	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

7827804

KEGG Compound ID

C14794

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9548881

PDB ID

Not Available

ChEBI ID

34230

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2,3-dinor-8-iso pgf2α (NP0299124)

MOL for NP0299124 (2,3-dinor-8-iso pgf2α)

3D MOL for NP0299124 (2,3-dinor-8-iso pgf2α)

3D SDF for NP0299124 (2,3-dinor-8-iso pgf2α)

3D-SDF for NP0299124 (2,3-dinor-8-iso pgf2α)

PDB for NP0299124 (2,3-dinor-8-iso pgf2α)

3D PDB for NP0299124 (2,3-dinor-8-iso pgf2α)

SMILES for NP0299124 (2,3-dinor-8-iso pgf2α)

INCHI for NP0299124 (2,3-dinor-8-iso pgf2α)

Structure for NP0299124 (2,3-dinor-8-iso pgf2α)

3D Structure for NP0299124 (2,3-dinor-8-iso pgf2α)