NP-MRD: Showing NP-Card for 16-hydroxyestrone (NP0318998)

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Record Information

Version

2.0

Created at

2022-09-11 19:48:25 UTC

Updated at

2022-09-11 19:48:25 UTC

NP-MRD ID

NP0318998

Secondary Accession Numbers

None

Natural Product Identification

Common Name

16-hydroxyestrone

Description

16-Hydroxyestrone belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. 16-Hydroxyestrone is an extremely weak basic (essentially neutral) compound (based on its pKa). A diacetate ester of 16α-hydroxyestrone, hydroxyestrone diacetate, has been marketed and is used medically as an estrogen in Europe. It is a potent estrogen similarly to estrone, and it has been suggested that the ratio of 16α-hydroxyestrone to 2-hydroxyestrone, the latter being much less estrogenic in comparison and even antiestrogenic in the presence of more potent estrogens like estradiol, may be involved in the pathophysiology of breast cancer. In contrast to estradiol, the binding of 16α-hydroxyestrone to the estrogen receptor is, uniquely, covalent and irreversible, and genotoxicity and aberrant hyperproliferations may result. 16-hydroxyestrone is found in Homo sapiens and Mus musculus. Conversely, 16α-hydroxyestrone may help to protect against osteoporosis.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 46  0  0  0  0  0  0  0  0999 V2000
    2.3857   -1.2027   -1.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2646   -0.6777    0.0540 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5253   -1.6242    0.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0709   -1.7044    0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5662   -0.3530    0.5315 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9936   -0.3529    0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8115   -1.1233    1.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1790   -1.1836    0.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7749   -0.4433   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1425   -0.4989   -0.2658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9549    0.3318   -0.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5811    0.3863   -0.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858    1.2544   -1.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5491    1.7043   -0.8902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2099    0.4753   -0.5049 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5376    0.6761    0.0785 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4953    1.5509   -0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8311    1.1090    0.0133 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0474    1.9913    1.0898 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5849   -0.2681    0.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3542   -0.9140    1.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7242   -2.0899   -1.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4296   -1.5957   -1.5131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1356   -0.4890   -2.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6580   -1.4456    2.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9531   -2.6529    0.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4348   -2.3301    1.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0603   -2.2160   -0.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3690    0.1403    1.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4105   -1.7356    1.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8157   -1.7927    1.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6981    0.1898    0.2579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4417    0.9086   -1.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3983    2.0820   -1.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4118    0.5954   -2.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8156    2.3214   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0842    2.3151   -1.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2479   -0.1870   -1.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4741    0.9515    1.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5264    1.4895   -1.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737    2.6136   -0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6215    1.1694   -0.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594    2.6246    0.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20  2  1  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  2 16  1  0
 15  5  1  0
 15 16  1  0
 12  6  1  0
 16 39  1  1
 17 40  1  0
 17 41  1  0
 18 42  1  6
 19 43  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  1
  7 30  1  0
  8 31  1  0
 10 32  1  0
 11 33  1  0
 13 34  1  0
 13 35  1  0
 14 36  1  0
 14 37  1  0
 15 38  1  6
M  END


  Mrv1652310061720022D          

 24 27  0  0  1  0            999 V2000
    2.0307    1.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5754   -0.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1708    1.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633   -0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3587    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345    1.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9224    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9193   -0.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0195   -0.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1072   -0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4511    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8269    0.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0148    0.7029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4830    0.0722    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6708    0.2174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3367    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5660    0.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3905    0.9934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2632    0.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5607   -0.1062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596    1.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2027    0.8481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8783    0.4467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  7  6  1  0  0  0  0
 10  2  1  0  0  0  0
 10  8  2  0  0  0  0
 11  3  2  0  0  0  0
 11  8  1  0  0  0  0
 12  5  2  0  0  0  0
 12 10  1  0  0  0  0
 13  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  1  0  0  0  0
 18  1  1  6  0  0  0
 18  7  1  0  0  0  0
 18 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  2  0  0  0  0
 13 22  1  1  0  0  0
 14 23  1  6  0  0  0
 15 24  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0318998

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CC(O)C(=O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H]

> <INCHI_IDENTIFIER>
InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16?,18+/m1/s1

> <INCHI_KEY>
WPOCIZJTELRQMF-DIQFNYNJSA-N

> <FORMULA>
C18H22O3

> <MOLECULAR_WEIGHT>
286.371

> <EXACT_MASS>
286.156894568

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
32.04240984776676

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,10R,11S,15S)-5,13-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-one

> <ALOGPS_LOGP>
2.45

> <JCHEM_LOGP>
3.4379631133333346

> <ALOGPS_LOGS>
-3.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.38257874741176

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.326567997010477

> <JCHEM_PKA_STRONGEST_BASIC>
-3.506418620839579

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
80.57459999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.68e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,10R,11S,15S)-5,13-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-OCT-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-OCT-17         0                                  
HETATM    1  C   UNK     0       3.791   3.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.541  -1.585   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.519   1.947   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.025  -1.314   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.003   2.218   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.971   2.761   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.455   3.032   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.049  -0.678   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.770  -0.539   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.533  -0.407   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.042   0.499   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.010   1.041   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.494   1.312   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.502   0.135   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.986   0.406   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.495   0.325   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.923   1.804   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.462   1.854   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      13.558   0.228   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       1.047  -0.198   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       1.978   3.020   0.000  0.00  0.00           O+0
HETATM   22  H   UNK     0       5.978   1.583   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0       5.509  -1.043   0.000  0.00  0.00           H+0
HETATM   24  H   UNK     0       3.506   0.834   0.000  0.00  0.00           H+0
CONECT    1   18                                                            
CONECT    2    4   10                                                       
CONECT    3    5   11                                                       
CONECT    4    2   14                                                       
CONECT    5    3   12                                                       
CONECT    6    7   13                                                       
CONECT    7    6   18                                                       
CONECT    8   10   11                                                       
CONECT    9   15   16                                                       
CONECT   10    2    8   12                                                  
CONECT   11    3    8   19                                                  
CONECT   12    5   10   13                                                  
CONECT   13    6   12   14   22                                             
CONECT   14    4   13   15   23                                             
CONECT   15    9   14   18   24                                             
CONECT   16    9   17   20                                                  
CONECT   17   16   18   21                                                  
CONECT   18    1    7   15   17                                             
CONECT   19   11                                                            
CONECT   20   16                                                            
CONECT   21   17                                                            
CONECT   22   13                                                            
CONECT   23   14                                                            
CONECT   24   15                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   54    0
END

View in JSmol

Synonyms

Value	Source
16-alpha-Hydroxyestrone	MeSH
16 beta-Hydroxyestrone	MeSH
16 alpha-Hydroxyestrone	MeSH

Chemical Formula

C₁₈H₂₂O₃

Average Mass

286.3710 Da

Monoisotopic Mass

286.15689 Da

IUPAC Name

(1S,10R,11S,15S)-5,13-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-one

Traditional Name

(1S,10R,11S,15S)-5,13-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-one

CAS Registry Number

Not Available

SMILES

[H][C@@]12CC(O)C(=O)[C@@]1(C)CC[C@]1([H])C3=CC=C(O)C=C3CC[C@@]21[H]

InChI Identifier

InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16?,18+/m1/s1

InChI Key

WPOCIZJTELRQMF-DIQFNYNJSA-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
Homo sapiens	LOTUS Database	35616633
Mus musculus	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
3-hydroxysteroid
Hydroxysteroid
17-oxosteroid
Oxosteroid
16-hydroxysteroid
Phenanthrene
Tetralin
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Cyclic alcohol
Secondary alcohol
Ketone
Carbonyl group
Organooxygen compound
Alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

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	2.45	ALOGPS
logP	3.44	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	10.33	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	80.57 m³·mol⁻¹	ChemAxon
Polarizability	32.04 Å³	ChemAxon
Number of Rings	4	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

HMDB0156712

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

16α-Hydroxyestrone

METLIN ID

Not Available

PubChem Compound

114852

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 16-hydroxyestrone (NP0318998)

MOL for NP0318998 (16-hydroxyestrone)

3D MOL for NP0318998 (16-hydroxyestrone)

3D SDF for NP0318998 (16-hydroxyestrone)

3D-SDF for NP0318998 (16-hydroxyestrone)

PDB for NP0318998 (16-hydroxyestrone)

3D PDB for NP0318998 (16-hydroxyestrone)

SMILES for NP0318998 (16-hydroxyestrone)

INCHI for NP0318998 (16-hydroxyestrone)

Structure for NP0318998 (16-hydroxyestrone)

3D Structure for NP0318998 (16-hydroxyestrone)