|
Compound | Name | ∆G (kcal/mole) |
|
48 | (+)-Methylpseudoephedrine | −15.92 |
57 | (1R,2S)-Ephedrine | −15.64 |
58 | (1R,2S)-N-methylephedrine | −15.24 |
59 | (1R,2S)-Norephedrine | −14.29 |
64 | (1S,2S)-Norpseudoephedrine | −13.65 |
65 | (1S,2S)-Pseudoephedrine | −11.66 |
80 | (3S)-2,2-Dimethyl-3,5-dihydroxy-8-hydroxymethyl-3,4-dihydro-2H,6H-benzo[1,2-b5,4-b′]dipyran-6-one | −14.27 |
84 | 2-(4-(Pyrrolidin-1-yl) phenyl) acetic acid | −15.46 |
85 | (4S,5R)-Ephedroxane | −14.01 |
91 | (E)-3-Butylidene phthalide | −13.31 |
100 | (S)-Cathinone | −12.6 |
102 | (Z)-3-Butylidene phthalide | −13.9 |
114 | 1-(2,4-Dimethoxyphenyl)-1-propanone | −13.53 |
118 | 1,3,6,6-Tetramethyl-6,7-dihydroisoquinolin-8(5H)-one | −12.41 |
150 | (4S,5R)-Ephedroxane | −13.02 |
195 | 1-Phenylpropane-1,2-dione | −11.07 |
208 | 2,3,4-Trimethyl-5-phenyloxazolidine | −13.76 |
245 | 2-Methoxycinnamaldehyde | −14.92 |
246 | 2-Methoxycinnamic acid | −14.22 |
260 | 2-Phenylethyl acetate | −13.29 |
280 | 3,4-Dimethyl-5-phenyloxazolidine | −13.21 |
342 | 3-Butylidene-4-hydro-phthalide | −13.24 |
364 | 2-Methoxybenzoic acid | −12.16 |
374 | 3′-o-Acetylhamaudol | −18.21 |
388 | 3′-o-Propionylhamaudol | −18.13 |
398 | 4-(4-Hydroxyphenyl)-2-butanone | −12.88 |
405 | (R)-2-((R)-5-Oxopyrrolidin-3-yl)-2-phenylacetic acid | −15.74 |
433 | 4-Hydroxy-3-methoxycinnamaldehyde | −13.11 |
533 | (Z)-6-(3-Hydroxy-4-methoxystyryl)-4-methoxy-2H-pyran-2-one | −17.1 |
539 | 6,7-Dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromone | −18.36 |
610 | 7-Demethylsuberosin | −15.48 |
637 | 8-Chloro-2-(2-phenylethyl)-5,6,7-trihydroxy-5,6,7,8-tetrahydrochromone | −18.85 |
816 | 3-((R)-Hydroxy ((S)-1-methylpiperidin-2-yl)methyl)phenol | −17.09 |
817 | (R)-((S)-1-Methylpiperidin-2-yl) (phenyl)methanol | −15.95 |
818 | 3-((1R,2S)-2-(Dimethylamino)-1-hydroxypropyl)phenol | −15.79 |
5153 | (R)-4-(1-Hydroxy-2-(methylamino)ethyl)-7,7-dimethyl-5,6,7,8-tetrahydronaphthalen-1-ol | −17.84 |
5155 | (R)-4-(1-Hydroxy-2-(methylamino)ethyl)-8,8-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-1-ol | −16.59 |
5159 | (R)-2-Ethyl-4-(1-hydroxy-2-(methylamino)ethyl)phenol | −17.89 |
5168 | (R)-2-((1S,2S,5S)-2-Benzyl-5-hydroxy-4-methylcyclohex-3-en-1-yl)propane-1,2-diol | −18.4 |
5169 | (1S,4R,5S)-4-Benzyl-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol | −17.42 |
VXG | (3S,4R)-1-Acetyl-4-phenylpyrrolidine-3-carboxylic acid | −19.37 |
|