NP-MRD: Showing NP-Card for (1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate (NP0288909)

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Record Information

Version

2.0

Created at

2022-09-09 18:50:41 UTC

Updated at

2022-09-09 18:50:41 UTC

NP-MRD ID

NP0288909

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate

Description

(1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]Octan-3-yl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate belongs to the class of organic compounds known as tropane alkaloids. (1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate is found in Hyoscyamus albus. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]Octane (1R,3R,5S)-8-methyl-8-azabicyclo[3.2.1]Octan-3-yl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 47  0  0  0  0  0  0  0  0999 V2000
   -5.5278    0.9601   -0.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1966    0.6312   -0.3113 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103    0.8716    1.0747 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4913   -0.3278    1.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2138   -1.4462    0.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8562   -0.7537   -0.4759 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3492   -0.8391   -0.6174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    0.4066   -0.0365 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3460    0.2421    0.2166 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6146    1.0374   -0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    1.9135   -1.2016 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0578    0.8877   -0.1551 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7411    1.8292   -0.9227 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5661   -0.4934   -0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0251   -0.5311   -0.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5167   -0.9128    1.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8776   -0.9459    1.2938 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7398   -0.5902    0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0984   -0.6130    0.5074 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2680   -0.2112   -0.9603 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9213   -0.1800   -1.2129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4062    0.8265    1.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2261    0.1178   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9132    1.7288    0.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4720    1.4933   -1.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3438    1.8203    1.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5670   -0.2074    2.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8925   -0.4363    2.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3703   -2.0400    1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0643   -2.1454    0.7061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3871   -1.2514   -1.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9534   -1.7488   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1180   -0.8882   -1.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9212    1.2266   -0.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377    1.0845    0.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385    2.4776   -1.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0629   -1.2333    0.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3568   -0.7425   -1.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7795   -1.1805    1.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2076   -1.2468    2.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5058   -0.8788    1.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9382    0.0717   -1.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5093    0.1107   -2.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0980    0.2138    2.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0903    1.8930    1.4217 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
  7  8  1  0
  8 22  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
  6  2  1  0
 21 15  1  0
 22  3  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  1
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  6
  7 32  1  0
  7 33  1  0
  8 34  1  6
 22 44  1  0
 22 45  1  0
 12 35  1  1
 13 36  1  0
 14 37  1  0
 14 38  1  0
 16 39  1  0
 17 40  1  0
 19 41  1  0
 20 42  1  0
 21 43  1  0
M  END


  Mrv1652309272006302D          

 22 24  0  0  0  0            999 V2000
 9986.5034 9990.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.3407 9990.4336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9989.9838 9989.8123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9990.6970 9990.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.4129 9989.8123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9991.4129 9988.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9990.6970 9991.0503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9989.2719 9990.2396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9988.7672 9989.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.0764 9991.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9987.9422 9989.5744    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9987.5896 9991.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9987.4181 9990.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.3276 9991.3880    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9992.1265 9990.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.8404 9989.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.8404 9988.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5542 9988.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2679 9988.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2679 9989.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.5542 9990.2246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.9816 9988.5760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  8  3  1  6  0  0  0
 14  2  1  1  0  0  0
 11  2  1  1  0  0  0
  5  6  1  1  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 17  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0288909

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](O)CC1=CC=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H23NO4/c1-18-12-4-5-13(18)10-15(9-12)22-17(21)16(20)8-11-2-6-14(19)7-3-11/h2-3,6-7,12-13,15-16,19-20H,4-5,8-10H2,1H3/t12-,13+,15+,16-/m1/s1

> <INCHI_KEY>
IIIHZDNWQJVVEP-BFJAYTPKSA-N

> <FORMULA>
C17H23NO4

> <MOLECULAR_WEIGHT>
305.374

> <EXACT_MASS>
305.162708225

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
32.92405249943361

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate

> <ALOGPS_LOGP>
1.97

> <JCHEM_LOGP>
0.9380199904543728

> <ALOGPS_LOGS>
-1.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.67313536104291

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.748911326925922

> <JCHEM_PKA_STRONGEST_BASIC>
9.139191768711852

> <JCHEM_POLAR_SURFACE_AREA>
70.0

> <JCHEM_REFRACTIVITY>
82.54130000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.52e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8641.4738649.414   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    8644.9038648.809   0.000  0.00  0.00           N+0
HETATM    3  O   UNK     0    8647.9708647.650   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0    8649.3018648.421   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8650.6378647.650   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0    8650.6378646.111   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8649.3018649.960   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0    8646.6418648.447   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8645.6998647.229   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8646.2768649.943   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8644.1598647.206   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8643.5018649.902   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8643.1808648.395   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8644.8788650.591   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8651.9698648.419   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8653.3028647.650   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8653.3028646.112   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8654.6348645.342   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8655.9678646.111   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8655.9678647.650   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8654.6348648.419   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0    8657.2998645.342   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1   14   11                                                  
CONECT    3    4    8                                                       
CONECT    4    3    5    7                                                  
CONECT    5    4    6   15                                                  
CONECT    6    5                                                            
CONECT    7    4                                                            
CONECT    8    9   10    3                                                  
CONECT    9    8   11                                                       
CONECT   10    8   14                                                       
CONECT   11    9   13    2                                                  
CONECT   12   13   14                                                       
CONECT   13   11   12                                                       
CONECT   14   10   12    2                                                  
CONECT   15    5   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   18   16                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20   16                                                       
CONECT   22   19                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
(1R,3R,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid	Generator

Chemical Formula

C₁₇H₂₃NO₄

Average Mass

305.3740 Da

Monoisotopic Mass

305.16271 Da

IUPAC Name

(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate

Traditional Name

(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate

CAS Registry Number

Not Available

SMILES

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)[C@H](O)CC1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C17H23NO4/c1-18-12-4-5-13(18)10-15(9-12)22-17(21)16(20)8-11-2-6-14(19)7-3-11/h2-3,6-7,12-13,15-16,19-20H,4-5,8-10H2,1H3/t12-,13+,15+,16-/m1/s1

InChI Key

IIIHZDNWQJVVEP-BFJAYTPKSA-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
Hyoscyamus albus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]Octane.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Tropane alkaloids

Sub Class

Not Available

Direct Parent

Tropane alkaloids

Alternative Parents

Substituents

Tropane alkaloid
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Phenol
Monocyclic benzene moiety
Piperidine
Fatty acyl
N-alkylpyrrolidine
Benzenoid
Pyrrolidine
Amino acid or derivatives
Carboxylic acid ester
Secondary alcohol
Tertiary amine
Tertiary aliphatic amine
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Amine
Carbonyl group
Alcohol
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	1.97	ALOGPS
logP	0.94	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	9.75	ChemAxon
pKa (Strongest Basic)	9.14	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	70 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	82.54 m³·mol⁻¹	ChemAxon
Polarizability	32.92 Å³	ChemAxon
Number of Rings	3	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate (NP0288909)

MOL for NP0288909 ((1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate)

3D MOL for NP0288909 ((1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate)

3D SDF for NP0288909 ((1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate)

3D-SDF for NP0288909 ((1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate)

PDB for NP0288909 ((1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate)

3D PDB for NP0288909 ((1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate)

SMILES for NP0288909 ((1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate)

INCHI for NP0288909 ((1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate)

Structure for NP0288909 ((1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate)

3D Structure for NP0288909 ((1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2r)-2-hydroxy-3-(4-hydroxyphenyl)propanoate)