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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Ethyl 5-hydroxyhexanoate
|
160.21
|
0.9
|
1
|
3
|
46.53
|
6
|
|
|
[(7R,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
|
397.50
|
-0.1
|
3
|
8
|
116.53
|
9
|
|
|
(7S,8aR,9S,10aR)-1,3-dihydroxy-10a-methyl-9-(2-methylpropyl)-7-propan-2-yl-7,8,8a,9-tetrahydroxanthene-2,4-dicarbaldehyde
|
386.50
|
5.6
|
2
|
5
|
83.83
|
5
|
|
|
(3S)-3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
288.25
|
2.2
|
4
|
6
|
107.22
|
1
|
|
|
(4S)-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
|
264.23
|
-2.4
|
4
|
8
|
125.68
|
3
|
|
|
4',5-Dihydroxy-7-glucosyloxyflavanone
|
434.40
|
0.6
|
6
|
10
|
166.14
|
4
|
|
|
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol
|
300.30
|
-0.6
|
5
|
7
|
119.61
|
5
|
|
|
(3R)-5,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
|
286.28
|
2.9
|
2
|
5
|
75.99
|
2
|
|
|
(5S,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
442.70
|
8.2
|
1
|
2
|
37.3
|
4
|
|
|
(3R,8R,9R,10S,13S,14R,17S)-17-[(2S,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
400.70
|
8.8
|
1
|
1
|
20.23
|
5
|
|
|
4-[(2R)-3-chloro-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
|
322.74
|
2.9
|
1
|
5
|
72.81
|
4
|
|
|
(3S,3aR,5aR,9R,9aS,9bS)-9-hydroxy-3,5a,9-trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g][1]benzofuran-2,6-dione
|
264.32
|
1.2
|
1
|
4
|
63.6
|
0
|
|
|
(3aR,4S,9aR,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
|
276.28
|
-0.7
|
2
|
5
|
83.83
|
1
|
|
|
7-[(1R,2R)-2-[(Z,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid
|
336.50
|
4.4
|
2
|
4
|
74.6
|
13
|
|
|
(1aR,4R,4aR,7R,7aR,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol
|
222.37
|
3.7
|
1
|
1
|
20.23
|
0
|
|
|
(2S)-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
|
240.25
|
3
|
0
|
3
|
43.37
|
1
|
|
|
(5R,5aS,8aS)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
|
384.40
|
2.8
|
1
|
7
|
83.45
|
3
|
|
|
(E)-1-[(2S)-4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
|
340.40
|
3.5
|
3
|
5
|
86.99
|
4
|
|
|
8-[(E,3R)-3,4-dihydroxy-3-methylbut-1-enyl]-7-methoxychromen-2-one
|
276.28
|
1.2
|
2
|
5
|
79.9
|
4
|
|
|
(3R)-3-hydroxy-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
|
230.22
|
0.6
|
1
|
4
|
63.6
|
0
|
|
|
(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
|
331.40
|
6.6
|
1
|
1
|
25.02
|
3
|
|
|
1-[2-Hydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
|
338.40
|
5.4
|
2
|
4
|
66.76
|
6
|
|
|
(6R)-4,6,11-trihydroxy-9-methoxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
|
342.30
|
2.4
|
3
|
7
|
109.36
|
1
|
|
|
Norketoagarofuran
|
222.32
|
2.3
|
0
|
2
|
26.3
|
0
|
|
|
N-Benzoyl-1-phenylalanyl-1-phenylalaninol acetate
|
444.50
|
4.4
|
2
|
4
|
84.5
|
11
|
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