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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2,4,4'-Trihydroxydihydrochalcone
|
258.27
|
2.4
|
3
|
4
|
77.76
|
4
|
|
|
Scabequinone
|
260.28
|
3
|
0
|
4
|
56.51
|
1
|
|
|
methyl (E)-3-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate
|
266.38
|
3.3
|
1
|
3
|
46.53
|
3
|
|
|
2,5-Dihydroxy-3-isopropenyl-6-(3-methylbut-3-en-1-ynyl)benzaldehyde
|
270.32
|
4.9
|
2
|
3
|
57.53
|
5
|
|
|
(1S,2S,3S,5R,6R,8R,12R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,8,12-triol
|
270.36
|
0.6
|
3
|
4
|
69.92
|
0
|
|
|
1,3-Benzodioxole-5-nonanoic acid
|
278.34
|
4.7
|
1
|
4
|
55.76
|
9
|
|
|
(1R,5R,6R,7S)-1-(hydroxymethyl)-7-(4-hydroxyphenyl)-4-oxo-8-oxabicyclo[3.2.1]oct-2-ene-6-carboxylic acid
|
290.27
|
-0.1
|
3
|
6
|
104.06
|
3
|
|
|
3,4-Dihydroxycinnamic Acid Phenethyl Ester
|
284.31
|
4.2
|
2
|
4
|
66.76
|
6
|
|
|
(E)-2-[(E)-2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-4-hydroxybut-2-enal
|
302.50
|
4.5
|
1
|
2
|
37.3
|
4
|
|
|
Vanylglycol
|
184.19
|
-0.7
|
3
|
4
|
69.92
|
3
|
|
|
Supinine
|
283.36
|
0.5
|
2
|
5
|
70
|
6
|
|
|
(1S,4aR,4bS,7S,9S,10aS)-7-ethenyl-9-hydroxy-1-(hydroxymethyl)-1,4a,7-trimethyl-2,4,4b,5,6,9,10,10a-octahydrophenanthren-3-one
|
318.40
|
2.6
|
2
|
3
|
57.53
|
2
|
|
|
[6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate
|
823.00
|
1.8
|
5
|
15
|
209.13
|
9
|
|
|
Nimbin
|
540.60
|
2.3
|
0
|
9
|
118.34
|
8
|
|
|
Madecassol
|
959.10
|
0.1
|
12
|
19
|
315.21
|
10
|
|
|
1,3,5-Trihydroxy-4-(3-hydroxy-3-methylbutyl)xanthone
|
330.30
|
3
|
4
|
6
|
111.13
|
3
|
|
|
Megistonine I
|
331.40
|
3.5
|
1
|
6
|
77.76
|
5
|
|
|
Rishitin
|
222.32
|
1.9
|
2
|
2
|
40.46
|
1
|
|
|
Proanthocyanidin
|
592.50
|
2.7
|
9
|
12
|
209.76
|
4
|
|
|
(1S,4aS,4bR,7S,8S,8aR,10S,10aS)-2-ethenyl-8-(hydroxymethyl)-1,4b,8-trimethyl-4a,5,6,7,8a,9,10,10a-octahydro-4H-phenanthrene-1,7,10-triol
|
336.50
|
2.1
|
4
|
4
|
80.92
|
2
|
|
|
Selenodiglutathione
|
691.60
|
|
10
|
16
|
368.24
|
22
|
|
|
methyl (4S,4aS,11bR)-4a-hydroxy-4,7,11b-trimethyl-2,3,5,6-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-4-carboxylate
|
342.40
|
4.7
|
1
|
4
|
59.67
|
2
|
|
|
[(9S,10R)-9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate
|
344.40
|
2.6
|
1
|
6
|
85.97
|
3
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4R)-4-hydroxy-2,6,6-trimethylcyclohexene-1-carboxylate
|
346.37
|
-0.7
|
5
|
8
|
136.68
|
4
|
|
|
Cerasonine
|
353.40
|
2.7
|
1
|
5
|
69.92
|
3
|
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