NP-MRD: Showing NP-Card for methyltrienolone (NP0220171)

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Record Information

Version

2.0

Created at

2022-09-05 21:24:19 UTC

Updated at

2022-09-05 21:24:19 UTC

NP-MRD ID

NP0220171

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyltrienolone

Description

Metribolone, also known as methyltrienolone or R1881, belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane. methyltrienolone is found in Matricaria chamomilla. methyltrienolone was first documented in 2006 (PMID: 17077481). Metribolone is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 48  0  0  0  0  0  0  0  0999 V2000
   -3.0545    1.1541    1.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2288    0.7022    0.1726 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1379    1.4535   -0.5452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6542   -0.7741    0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349   -1.4908    0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2600   -0.4618    0.4577 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0482   -0.9101   -0.1029 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7375   -1.7368    0.9889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0730   -2.2012    0.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577   -1.0216    0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1526   -1.1334   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9039    0.0361   -0.5568 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9136   -0.0695   -1.3215 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4271    1.3674   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9725    1.5121   -0.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1930    0.2638   -0.1723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8722    0.3435   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2238    1.6333   -0.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0878    1.7400   -0.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9029    0.5490   -0.5088 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0671   -0.1282   -1.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9618    0.2842    2.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2590    1.8872    1.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0214    1.6468    1.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6594    1.9434   -1.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4095   -0.9440    0.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9708   -1.0279   -0.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4343   -1.8498    1.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1867   -2.3738   -0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0680    0.0548    1.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0128   -1.4802   -1.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0851   -2.5648    1.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8405   -1.0508    1.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9231   -2.8581   -0.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6208   -2.7001    1.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7024   -2.0573    0.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9732    2.1657   -0.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6473    1.4522    1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5502    2.2423    0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8363    1.9371   -1.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8123    2.5604   -0.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5126    2.7023   -0.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2078    0.2357   -2.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9395   -1.2078   -1.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9948    0.1752   -2.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  1  6
  2 20  1  0
 20 21  1  6
 20 19  1  0
 19 18  2  0
 18 17  1  0
 17 16  2  0
 16 15  1  0
 15 14  1  0
 14 12  1  0
 12 13  2  0
 12 11  1  0
 11 10  2  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
 20  6  1  0
  7 17  1  0
  7  6  1  0
 10 16  1  0
  6 30  1  1
  5 28  1  0
  5 29  1  0
  4 26  1  0
  4 27  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  3 25  1  0
 21 43  1  0
 21 44  1  0
 21 45  1  0
 19 42  1  0
 18 41  1  0
 15 39  1  0
 15 40  1  0
 14 37  1  0
 14 38  1  0
 11 36  1  0
  9 34  1  0
  9 35  1  0
  8 32  1  0
  8 33  1  0
  7 31  1  6
M  END

R18
  Mrv0541 02231216372D          

 23 26  0  0  0  0            999 V2000
    1.9235   -0.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7356   -0.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0159    0.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4841    0.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6720    0.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1402    1.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3280    1.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0477    0.4773    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5796   -0.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -0.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2993   -0.9293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5129   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447   -0.4438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7644    0.3321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4157    0.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0986    0.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8692   -0.4170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4045   -1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906   -1.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8280    0.4274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6301   -0.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3287    0.9237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6245    0.8990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  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
  8 14  1  0  0  0  0
  8 22  1  1  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 14 15  1  0  0  0  0
 14 23  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  1  6  0  0  0
 17 21  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0220171

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]

> <INCHI_IDENTIFIER>
InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1

> <INCHI_KEY>
CCCIJQPRIXGQOE-XWSJACJDSA-N

> <FORMULA>
C19H24O2

> <MOLECULAR_WEIGHT>
284.3927

> <EXACT_MASS>
284.177630012

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
32.89808774333371

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(10S,11S,14S,15S)-14-hydroxy-14,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1,6,16-trien-5-one

> <ALOGPS_LOGP>
3.11

> <JCHEM_LOGP>
2.534793883333333

> <ALOGPS_LOGS>
-3.93

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.903393329393378

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5336483014358876

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
86.29289999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.32e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyltrienolone

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: R18                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0       3.591  -1.193   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.106  -0.922   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.630   0.527   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.637   1.704   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.121   1.433   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.128   2.610   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.612   2.339   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.089   0.891   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.082  -0.286   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.598  -0.015   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.559  -1.735   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.957  -2.006   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.950  -0.828   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.427   0.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.643   1.565   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.917   0.701   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.489  -0.778   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.622  -2.214   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.716  -2.302   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       7.146   0.798   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -4.910  -1.374   0.000  0.00  0.00           O+0
HETATM   22  H   UNK     0      -0.614   1.724   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0      -1.166   1.678   0.000  0.00  0.00           H+0
CONECT    1    2   10                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   20                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   14   22                                             
CONECT    9    8   10   11                                                  
CONECT   10    1    5    9                                                  
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   17   18                                             
CONECT   14    8   13   15   23                                             
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   13   16   19   21                                             
CONECT   18   13                                                            
CONECT   19   17                                                            
CONECT   20    3                                                            
CONECT   21   17                                                            
CONECT   22    8                                                            
CONECT   23   14                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   52    0
END

View in JSmol

Synonyms

Value	Source
17-beta-Hydroxy-17-methylestra-4,9,11-trien-3-one	ChEBI
17-Methyloestra-4,9,11-trien-3-one,17beta-ol	ChEBI
17alpha-Methyltrienolone	ChEBI
Methyltrienolone	ChEBI
Metribolona	ChEBI
Metribolonum	ChEBI
R1881	ChEBI
R1881 (Synthetic androgen)	ChEBI
17-b-Hydroxy-17-methylestra-4,9,11-trien-3-one	Generator
17-Β-hydroxy-17-methylestra-4,9,11-trien-3-one	Generator
17-Methyloestra-4,9,11-trien-3-one,17b-ol	Generator
17-Methyloestra-4,9,11-trien-3-one,17β-ol	Generator
17a-Methyltrienolone	Generator
17Α-methyltrienolone	Generator
17 beta-Hydroxy-17 alpha-methylestra-4,9,11-trien-3-one	MeSH
Metribolone	ChEBI

Chemical Formula

C₁₉H₂₄O₂

Average Mass

284.3927 Da

Monoisotopic Mass

284.17763 Da

IUPAC Name

(10S,11S,14S,15S)-14-hydroxy-14,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1,6,16-trien-5-one

Traditional Name

methyltrienolone

CAS Registry Number

Not Available

SMILES

[H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]

InChI Identifier

InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1

InChI Key

CCCIJQPRIXGQOE-XWSJACJDSA-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
Matricaria chamomilla	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-oxosteroid
Hydroxysteroid
17-hydroxysteroid
Oxosteroid
Cyclohexenone
Cyclic alcohol
Tertiary alcohol
Cyclic ketone
Ketone
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Organooxygen compound
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

3-oxo steroid (CHEBI:379896 )
17beta-hydroxy steroid (CHEBI:379896 )
anabolic androgenic steroid (CHEBI:379896 )
Estrane and derivatives (C14257 )

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	3.11	ALOGPS
logP	2.53	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	18.9	ChemAxon
pKa (Strongest Basic)	-0.53	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	86.29 m³·mol⁻¹	ChemAxon
Polarizability	32.9 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

DB02998

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C14257

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Metribolone

METLIN ID

Not Available

PubChem Compound

261000

PDB ID

Not Available

ChEBI ID

379896

Good Scents ID

Not Available

References

General References

Wang F, Liu XQ, Li H, Liang KN, Miner JN, Hong M, Kallel EA, van Oeveren A, Zhi L, Jiang T: Structure of the ligand-binding domain (LBD) of human androgen receptor in complex with a selective modulator LGD2226. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2006 Nov 1;62(Pt 11):1067-71. doi: 10.1107/S1744309106039340. Epub 2006 Oct 25. [PubMed:17077481 ]
LOTUS database [Link]

Showing NP-Card for methyltrienolone (NP0220171)

MOL for NP0220171 (methyltrienolone)

3D MOL for NP0220171 (methyltrienolone)

3D SDF for NP0220171 (methyltrienolone)

3D-SDF for NP0220171 (methyltrienolone)

PDB for NP0220171 (methyltrienolone)

3D PDB for NP0220171 (methyltrienolone)

SMILES for NP0220171 (methyltrienolone)

INCHI for NP0220171 (methyltrienolone)

Structure for NP0220171 (methyltrienolone)

3D Structure for NP0220171 (methyltrienolone)