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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-[(1s)-2-(4-Hydroxy-3-methoxyphenyl)-1-methylethyl]-6-methoxy-4-(prop-2-enyl)phenol
|
328.40
|
4.8
|
2
|
4
|
58.92
|
7
|
|
|
(1R,5S,8R,9S,10S,11R,15S,18R)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadec-2-en-7-one
|
362.40
|
-0.5
|
4
|
6
|
107.22
|
0
|
|
|
(1R,2E,7R,9S,13S)-7-hydroxy-1,5,9,12,12-pentamethyl-16-oxatricyclo[11.2.1.03,7]hexadeca-2,5-diene-4,8-dione
|
332.40
|
2.8
|
1
|
4
|
63.6
|
0
|
|
|
(3S,4S)-5,6,7-trihydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4-dihydroisochromen-1-one
|
510.40
|
-0.4
|
8
|
13
|
215.83
|
6
|
|
|
3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
838.80
|
0.2
|
11
|
20
|
317.35
|
11
|
|
|
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
692.70
|
1.3
|
9
|
16
|
258.43
|
9
|
|
|
(3R,5R,7R,8R,9R,10S,13S,17S)-17-[(2S,3R,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
|
520.70
|
4.4
|
4
|
6
|
99.38
|
4
|
|
|
(3R,5R,7R,8R,9R,10S,13S,17S)-17-[(2R,3R,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
|
520.70
|
4.4
|
4
|
6
|
99.38
|
4
|
|
|
[(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-4-yl] acetate
|
292.40
|
2.8
|
1
|
4
|
59.67
|
2
|
|
|
(3R,3aR,5aR,9S,9aR,9bS)-3a-hydroxy-3,9,9a-trimethyl-3,5,5a,6,7,8,9,9b-octahydrobenzo[g][1]benzofuran-2,4-dione
|
266.33
|
2.3
|
1
|
4
|
63.6
|
0
|
|
|
[(4aR,5S,8R,8aR)-3-(hydroxymethyl)-4a,5-dimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
|
332.40
|
3.8
|
1
|
4
|
59.67
|
4
|
|
|
[(4S,4aR,5S,8R,8aR)-4-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
|
332.40
|
3.9
|
1
|
4
|
59.67
|
3
|
|
|
[(4aR,5S,8R,8aR)-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
|
316.40
|
5
|
0
|
3
|
39.44
|
3
|
|
|
[(3R,4S,4aR,5S,8R,8aR)-4-hydroxy-3,4a,5-trimethyl-2-oxo-3,4,5,6,7,8,8a,9-octahydrobenzo[f][1]benzofuran-8-yl] (Z)-2-methylbut-2-enoate
|
348.40
|
2.9
|
1
|
5
|
72.83
|
3
|
|
|
Viguiepenol
|
288.50
|
5.5
|
1
|
1
|
20.23
|
1
|
|
|
(2S,3S)-8-[(R)-[(2S)-4,6-dihydroxy-2,3-dihydro-1-benzofuran-2-yl]-(3,4-dihydroxyphenyl)methyl]-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
562.50
|
3.5
|
9
|
11
|
200.53
|
4
|
|
|
2-[(4R)-16-methoxy-5,12-dioxa-10-azatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),7,10,13,15-hexaen-4-yl]propan-2-ol
|
299.32
|
2.9
|
1
|
5
|
64.72
|
2
|
|
|
[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate
|
964.80
|
-0.8
|
14
|
25
|
404.34
|
15
|
|
|
16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 1-O-[(3R,4S,5S,6R)-2,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (2E,4E,6E,8E,10E,12E,14E)-hexadeca-2,4,6,8,10,12,14-heptaenedioate
|
920.90
|
-4.5
|
14
|
24
|
391.2
|
20
|
|
|
Liriodenine
|
275.26
|
3.4
|
0
|
4
|
48.42
|
0
|
|
|
3,5,7-Trihydroxy-2-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]chromen-4-one
|
370.40
|
2.8
|
5
|
7
|
131.36
|
4
|
|
|
(1R,5R,7S)-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-enyl)-1-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
|
468.70
|
7.7
|
1
|
4
|
71.44
|
8
|
|
|
methyl (3R)-3-(3,4-dihydroxyphenyl)-3-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]propanoate
|
484.50
|
2.2
|
7
|
10
|
177.14
|
6
|
|
|
methyl (3S)-3-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3-(2,4,5-trihydroxyphenyl)propanoate
|
500.40
|
0.8
|
8
|
11
|
197.37
|
6
|
|
|
methyl (3R)-3-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3-(2,4,5-trihydroxyphenyl)propanoate
|
500.40
|
0.8
|
8
|
11
|
197.37
|
6
|
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