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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3S,3aR,4S,7R,10E,11aR)-7-hydroperoxy-4-hydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
|
282.33
|
1
|
2
|
5
|
75.99
|
1
|
|
|
(3R,3aS,5aR,6R,9bS)-6-hydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
|
250.33
|
1.7
|
1
|
3
|
46.53
|
0
|
|
|
(3R,3aS,5aR,9bS)-3,5a,9-trimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2,6-dione
|
248.32
|
1.4
|
0
|
3
|
43.37
|
0
|
|
|
Geranylgeranyl octadecanoate
|
556.90
|
15.6
|
0
|
2
|
26.3
|
28
|
|
|
(2E,6E,10E)-3,7,11,15-Tetramethylhexadeca-2,6,10,14-tetraen-1-yl formate
|
318.50
|
7.2
|
0
|
2
|
26.3
|
12
|
|
|
trans-Methylbixin
|
408.50
|
7.9
|
0
|
4
|
52.6
|
12
|
|
|
3-Hydroxy-6-acetoxytropane
|
199.25
|
0.4
|
1
|
4
|
49.77
|
2
|
|
|
2-hydroxy-1,3,10-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
|
357.40
|
1
|
2
|
6
|
77.02
|
4
|
|
|
(7S)-3-hydroxy-1,2,10-trimethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
|
357.40
|
1
|
2
|
6
|
77.02
|
4
|
|
|
(10R)-4,5,16-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-3,17-diol
|
371.40
|
3
|
2
|
6
|
71.39
|
3
|
|
|
[(1R,12S,14R)-9-hydroxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] acetate
|
315.40
|
2.1
|
1
|
5
|
59
|
2
|
|
|
5,7-Dihydroxy-7-methyl-1,4,4a,5,6,7a-hexahydrocyclopenta[c]pyran-3-one
|
186.20
|
-0.6
|
2
|
4
|
66.76
|
0
|
|
|
Methyl 4-prenyloxycinnamate
|
246.30
|
3.7
|
0
|
3
|
35.53
|
6
|
|
|
Dihydromalyngic acid
|
330.50
|
3.1
|
4
|
5
|
97.99
|
15
|
|
|
1,4-Epidioxy-p-mentha-2,8-diene
|
166.22
|
2.4
|
0
|
2
|
18.46
|
1
|
|
|
1,2:3,4-Diepoxy-p-menth-8-ene
|
166.22
|
1.5
|
0
|
2
|
25.06
|
1
|
|
|
2-(Hydroxymethyl)-6-[[5-hydroxy-2-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxane-3,4,5-triol
|
524.50
|
-4.8
|
9
|
15
|
240.75
|
6
|
|
|
[(2S,3R,4R,5R,6S)-4,5-dihydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-3-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
|
684.60
|
-2
|
8
|
17
|
256.05
|
11
|
|
|
Arctiol
|
238.37
|
3.1
|
2
|
2
|
40.46
|
1
|
|
|
2-(5-acetyloxy-4,6b-dimethyl-1a,2,4,5,6,6a-hexahydro-1H-cyclopropa[e]inden-2-yl)prop-2-enoic acid
|
290.40
|
2.5
|
1
|
4
|
63.6
|
4
|
|
|
2-[(1aR,2S,4R,5S,6aS,6bR)-5-acetyloxy-4,6b-dimethyl-1a,2,4,5,6,6a-hexahydro-1H-cyclopropa[e]inden-2-yl]prop-2-enoic acid
|
290.40
|
2.5
|
1
|
4
|
63.6
|
4
|
|
|
2-(3-Acetyloxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
|
292.40
|
3.2
|
1
|
4
|
63.6
|
4
|
|
|
2-[(2R,3R,4aR,8aS)-3-acetyloxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
|
292.40
|
3.2
|
1
|
4
|
63.6
|
4
|
|
|
2-(3-acetyloxy-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl)prop-2-enoic acid
|
292.40
|
2.9
|
1
|
4
|
63.6
|
4
|
|
|
(3aS,5E,7S,10E,11aS)-7-hydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
|
248.32
|
1.7
|
1
|
3
|
46.53
|
0
|
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