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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
methyl (1S,4aS,4bR,8aS)-8a-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylate
|
348.50
|
3.5
|
1
|
4
|
63.6
|
3
|
|
|
Lochnericine
|
352.40
|
2.5
|
1
|
5
|
54.1
|
3
|
|
|
(1S,12R,13R,18R)-17-acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-11-one
|
380.40
|
1.6
|
0
|
5
|
60.77
|
2
|
|
|
5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone
|
392.30
|
2.1
|
5
|
10
|
159.05
|
4
|
|
|
methyl (1S,4aS,5S,7S,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
|
406.40
|
-2.6
|
6
|
11
|
175.37
|
6
|
|
|
CID 11384371
|
412.40
|
2.5
|
0
|
8
|
89.52
|
4
|
|
|
2beta,3alpha-Epitaondiol
|
412.60
|
6.7
|
2
|
3
|
49.69
|
0
|
|
|
(5S,5aS,8aS,9S)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
|
414.40
|
2
|
1
|
8
|
92.68
|
4
|
|
|
Fridel-1-en-3-one
|
424.70
|
9.8
|
0
|
1
|
17.07
|
0
|
|
|
Scopadulin
|
440.60
|
5.2
|
2
|
5
|
83.83
|
4
|
|
|
(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
460.70
|
7.2
|
2
|
3
|
49.69
|
2
|
|
|
[(E)-2-[(2S,3aS,8S,9R,9aS)-8-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-2-methoxy-2,8-dimethyl-3a,5,7,9-tetrahydro-3H-furo[2,3-i][2]benzofuran-9-yl]ethenyl] 3-methylbut-2-enoate
|
462.60
|
3.1
|
1
|
7
|
83.45
|
9
|
|
|
2,3-Dimethylnaphthalene
|
156.22
|
4.4
|
0
|
0
|
0
|
0
|
|
|
[(4aR,5R,6R,6aS,7R,10aR,11aS,11bR)-4a,6-dihydroxy-10a-methoxy-4,4,7,11b-tetramethyl-9-oxo-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] benzoate
|
484.60
|
3.7
|
2
|
7
|
102.29
|
4
|
|
|
3-Acetyl-beta-boswellic acid
|
498.70
|
8.3
|
1
|
4
|
63.6
|
3
|
|
|
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol
|
504.50
|
-2.1
|
7
|
13
|
196.99
|
10
|
|
|
[(2S,3S)-3-(acetyloxymethyl)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-(3,4,5-trimethoxyphenyl)butyl] acetate
|
518.60
|
4.1
|
0
|
10
|
107.98
|
15
|
|
|
2,6-Dimethylnaphthalene
|
156.22
|
4.3
|
0
|
0
|
0
|
0
|
|
|
(1S,8R,9S,12R,13R,14R,15R,16S)-15-chloro-8-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-13,14-dihydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
|
530.90
|
-1.2
|
5
|
11
|
176.12
|
4
|
|
|
[(3R,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
572.90
|
11.6
|
1
|
3
|
46.53
|
4
|
|
|
(2S)-4-[(2R)-2-hydroxy-9-[(2S,5S)-5-[(1S,4R,5R)-1,4,5-trihydroxyheptadecyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
|
596.90
|
8.8
|
4
|
7
|
116.45
|
26
|
|
|
Anatabine
|
160.22
|
0.9
|
1
|
2
|
24.92
|
1
|
|
|
Peonidin 3-(6''-caffeoyl-glucoside)
|
625.60
|
|
8
|
13
|
227.13
|
9
|
|
|
(2R,3S,4S,5R,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
|
714.70
|
-0.8
|
9
|
17
|
255.91
|
13
|
|
|
cyclo[Gln-Thr-Gly-Met(O)-Leu-Pro-Ile-Pro]
|
854.00
|
-1.3
|
8
|
12
|
314.82
|
11
|
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