NP-MRD: Showing NP-Card for nor-q.d.; ethinyl estradiol (NP0250634)

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Record Information

Version

2.0

Created at

2022-09-07 13:31:38 UTC

Updated at

2022-09-07 13:31:38 UTC

NP-MRD ID

NP0250634

Secondary Accession Numbers

None

Natural Product Identification

Common Name

nor-q.d.; ethinyl estradiol

Description

14-Ethynyl-14-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-6-en-5-one; 14-ethynyl-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadeca-2,4,6-triene-5,14-diol belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. nor-q.d.; ethinyl estradiol is found in Amentotaxus formosana. Based on a literature review very few articles have been published on 14-ethynyl-14-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadec-6-en-5-one; 14-ethynyl-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadeca-2,4,6-triene-5,14-diol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072215312D          

 44 50  0  0  0  0            999 V2000
   -3.6003   -0.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  3  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309072215312D          

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   -1.9761   -0.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9166   -1.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054    0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226    0.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8712    0.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591    0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2212    1.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0333    1.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3772    0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9091    0.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7212    0.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6288   -0.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8166   -0.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2848    0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4727   -0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1924   -0.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6197   -1.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1515   -0.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114   -1.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6069   -0.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4190   -0.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2311   -0.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2907   -1.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0018    0.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6847    0.8743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3360    0.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1481    0.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4284    1.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2405    1.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5845    0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1163    0.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9284    0.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8360   -0.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0239   -0.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4920    0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6799   -0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3996   -0.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -1.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0557   -0.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6958   -1.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 21  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  3  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 33 39  1  0  0  0  0
 39 40  1  0  0  0  0
 30 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 29 43  1  0  0  0  0
 25 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0250634

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C.CC12CCC3C(CCC4=CC(O)=CC=C34)C1CCC2(O)C#C

> <INCHI_IDENTIFIER>
InChI=1S/C20H26O2.C20H24O2/c2*1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3

> <INCHI_KEY>
NAPPWIFDUAHTRY-UHFFFAOYSA-N

> <FORMULA>
C40H50O4

> <MOLECULAR_WEIGHT>
594.836

> <EXACT_MASS>
594.37091009

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
94

> <JCHEM_AVERAGE_POLARIZABILITY>
34.59112767411301

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
14-ethynyl-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one; 14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol

> <JCHEM_LOGP>
3.2172279373333335

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.27829748806947

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.594932036943536

> <JCHEM_PKA_STRONGEST_BASIC>
-1.6634024140734995

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
87.42449999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
14-ethynyl-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one; 14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.721  -1.254   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.205  -0.983   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.689  -0.711   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -3.578  -2.247   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -4.117   0.768   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.842   1.632   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.626   0.687   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.110   0.958   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.413   2.406   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.929   2.677   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.922   1.500   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.437   1.771   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.430   0.594   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       6.946   0.865   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.907  -0.855   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.391  -1.126   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.398   0.052   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.882  -0.219   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.359  -1.668   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.157  -1.939   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.150  -0.762   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.821  -2.147   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.466  -1.254   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      11.982  -0.983   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      13.498  -0.711   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      13.609  -2.247   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      13.070   0.768   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      14.345   1.632   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      15.561   0.687   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      17.076   0.958   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      17.600   2.406   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      19.116   2.677   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      20.108   1.500   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      21.624   1.771   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      22.617   0.594   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      24.133   0.865   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      22.094  -0.855   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      20.578  -1.126   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      19.585   0.052   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      18.069  -0.219   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      17.546  -1.668   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      16.030  -1.939   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      15.037  -0.762   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      14.366  -2.147   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5   21                                             
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   21                                                  
CONECT    8    7    9   18                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   17                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   11   18                                                  
CONECT   18   17    8   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20    7    3   22                                             
CONECT   22   21                                                            
CONECT   23   24                                                            
CONECT   24   23   25                                                       
CONECT   25   24   26   27   43                                             
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   43                                                  
CONECT   30   29   31   40                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34   39                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   33   40                                                  
CONECT   40   39   30   41                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   29   25   44                                             
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0  100    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₅₀O₄

Average Mass

594.8360 Da

Monoisotopic Mass

594.37091 Da

IUPAC Name

14-ethynyl-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one; 14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol

Traditional Name

14-ethynyl-14-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one; 14-ethynyl-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol

CAS Registry Number

Not Available

SMILES

CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C.CC12CCC3C(CCC4=CC(O)=CC=C34)C1CCC2(O)C#C

InChI Identifier

InChI=1S/C20H26O2.C20H24O2/c2*1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3

InChI Key

NAPPWIFDUAHTRY-UHFFFAOYSA-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
Amentotaxus formosana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Estrane steroids

Direct Parent

Estrogens and derivatives

Alternative Parents

Substituents

Estrogen-skeleton
17-hydroxysteroid
Hydroxysteroid
3-hydroxysteroid
Phenanthrene
Tetralin
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Ynone
Tertiary alcohol
Cyclic alcohol
Acetylide
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aromatic homopolycyclic compound

Molecular Framework

Not Available

External Descriptors

Not Available

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	3.22	ChemAxon
pKa (Strongest Acidic)	17.59	ChemAxon
pKa (Strongest Basic)	-1.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	87.42 m³·mol⁻¹	ChemAxon
Polarizability	34.59 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

11640386

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

23443701

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for nor-q.d.; ethinyl estradiol (NP0250634)

MOL for NP0250634 (nor-q.d.; ethinyl estradiol)

3D MOL for NP0250634 (nor-q.d.; ethinyl estradiol)

3D SDF for NP0250634 (nor-q.d.; ethinyl estradiol)

3D-SDF for NP0250634 (nor-q.d.; ethinyl estradiol)

PDB for NP0250634 (nor-q.d.; ethinyl estradiol)

3D PDB for NP0250634 (nor-q.d.; ethinyl estradiol)

SMILES for NP0250634 (nor-q.d.; ethinyl estradiol)

INCHI for NP0250634 (nor-q.d.; ethinyl estradiol)

Structure for NP0250634 (nor-q.d.; ethinyl estradiol)

3D Structure for NP0250634 (nor-q.d.; ethinyl estradiol)