NP-MRD: Showing NP-Card for 5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol (NP0175364)

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Record Information

Version

2.0

Created at

2022-09-03 12:48:18 UTC

Updated at

2022-09-03 12:48:18 UTC

NP-MRD ID

NP0175364

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol

Description

CHEMBL51093 belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol is found in Cymopolia barbata. Based on a literature review very few articles have been published on CHEMBL51093.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
   -1.9750    2.4476    1.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9783    1.1549    1.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0997    0.3583    1.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7348   -0.4256    0.7277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7113   -1.3081    0.0935 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5465   -2.1946   -1.4120 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5328   -0.5062   -0.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1405    0.2148   -1.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592   -1.5703   -0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9062    0.3202    0.5556 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2398    1.1738    0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4607    0.6666   -0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4699    0.1806    0.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6496   -0.3514    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6664   -0.8393    0.8941 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6726   -0.8764    2.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7970   -0.3850   -1.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4345   -1.1237   -1.9831 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8321    0.0810   -2.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6430    0.6176   -1.6574 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6848    1.0890   -2.5781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2066    3.0798    0.9774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8256    2.9315    1.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6835   -0.3413    2.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8404    1.0181    2.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5140   -1.1164    1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2554    0.2453    0.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3782   -2.0736    0.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7131   -0.2221   -2.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8977    1.2937   -1.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2181    0.1049   -1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3158   -1.4055   -2.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9846   -2.6040   -0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3762   -1.5848   -0.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6341   -0.4151    1.3871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434    1.6343    1.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0984    2.1202   -0.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3223    0.2213    1.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5388   -1.9398    2.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9263   -0.2165    2.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6922   -0.5458    2.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9710    0.0444   -3.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8290    1.0476   -3.5620 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 15  1  0
 15 14  1  0
 14 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 20 12  1  0
 12 11  1  0
 11 10  1  0
 10  2  1  0
  2  1  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
 12 13  2  0
 13 14  1  0
  7 10  1  0
 16 39  1  0
 16 40  1  0
 16 41  1  0
 19 42  1  0
 21 43  1  0
 11 36  1  0
 11 37  1  0
 10 35  1  1
  1 22  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  1
  8 29  1  0
  8 30  1  0
  8 31  1  0
  9 32  1  0
  9 33  1  0
  9 34  1  0
 13 38  1  0
M  END


  Mrv1652309032214482D          

 21 22  0  0  1  0            999 V2000
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -0.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131   -0.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0175364

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(Br)C=C(O)C(C[C@H]2C(=C)CC[C@@H](Br)C2(C)C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H22Br2O2/c1-10-5-6-16(19)17(2,3)12(10)7-11-8-15(21-4)13(18)9-14(11)20/h8-9,12,16,20H,1,5-7H2,2-4H3/t12-,16+/m0/s1

> <INCHI_KEY>
UHRXKJFPPKYYEC-BLLLJJGKSA-N

> <FORMULA>
C17H22Br2O2

> <MOLECULAR_WEIGHT>
418.169

> <EXACT_MASS>
415.998656

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
36.87256355282575

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-bromo-2-{[(1S,3R)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol

> <ALOGPS_LOGP>
5.77

> <JCHEM_LOGP>
5.6760353153333325

> <ALOGPS_LOGS>
-5.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.563033472956343

> <JCHEM_PKA_STRONGEST_BASIC>
-4.854262862735848

> <JCHEM_POLAR_SURFACE_AREA>
29.46

> <JCHEM_REFRACTIVITY>
93.81729999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.62e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-bromo-2-{[(1S,3R)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    6 Br   UNK     0       6.668  -2.310   0.000  0.00  0.00          Br+0
HETATM    7  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.991  -1.130   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.011  -1.130   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   18 Br   UNK     0       1.334   3.850   0.000  0.00  0.00          Br+0
HETATM   19  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7    2   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   20                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   12   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

View in JSmol

Synonyms

Value	Source
Cyclocymopol monomethyl ether	MeSH

Chemical Formula

C₁₇H₂₂Br₂O₂

Average Mass

418.1690 Da

Monoisotopic Mass

415.99866 Da

IUPAC Name

5-bromo-2-{[(1S,3R)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol

Traditional Name

5-bromo-2-{[(1S,3R)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol

CAS Registry Number

Not Available

SMILES

COC1=C(Br)C=C(O)C(C[C@H]2C(=C)CC[C@@H](Br)C2(C)C)=C1

InChI Identifier

InChI=1S/C17H22Br2O2/c1-10-5-6-16(19)17(2,3)12(10)7-11-8-15(21-4)13(18)9-14(11)20/h8-9,12,16,20H,1,5-7H2,2-4H3/t12-,16+/m0/s1

InChI Key

UHRXKJFPPKYYEC-BLLLJJGKSA-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
Cymopolia barbata	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Methoxyphenol
4-alkoxyphenol
Anisole
3-halophenol
3-bromophenol
Phenoxy compound
Phenol ether
Methoxybenzene
Alkyl aryl ether
Halobenzene
Bromobenzene
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Aryl halide
Aryl bromide
Ether
Organobromide
Organohalogen compound
Alkyl halide
Alkyl bromide
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	5.77	ALOGPS
logP	5.68	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	9.56	ChemAxon
pKa (Strongest Basic)	-4.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	29.46 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	93.82 m³·mol⁻¹	ChemAxon
Polarizability	36.87 Å³	ChemAxon
Number of Rings	2	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

8607570

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10432143

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol (NP0175364)

MOL for NP0175364 (5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol)

3D MOL for NP0175364 (5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol)

3D SDF for NP0175364 (5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol)

3D-SDF for NP0175364 (5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol)

PDB for NP0175364 (5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol)

3D PDB for NP0175364 (5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol)

SMILES for NP0175364 (5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol)

INCHI for NP0175364 (5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol)

Structure for NP0175364 (5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol)

3D Structure for NP0175364 (5-bromo-2-{[(1s,3r)-3-bromo-2,2-dimethyl-6-methylidenecyclohexyl]methyl}-4-methoxyphenol)