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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(4aR,5R,6S,8aS,9aS)-8a,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
|
364.40
|
2.1
|
2
|
6
|
93.06
|
3
|
|
|
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
1095.30
|
-0.6
|
15
|
23
|
377.29
|
15
|
|
|
3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,4S,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
534.70
|
2.3
|
3
|
8
|
114.68
|
4
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[5-hydroxy-4-oxo-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-2-yl]phenoxy]oxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
|
978.90
|
-1.2
|
13
|
25
|
393.34
|
16
|
|
|
(1R,7S,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridec-3-en-5-one
|
230.30
|
2.1
|
0
|
2
|
26.3
|
0
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,11S,12aS,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-oxo-2,3,4a,5,6,7,8,10,12,12a,14,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
|
824.90
|
1.7
|
9
|
16
|
270.2
|
8
|
|
|
2,2-Dimethyl-3-(3-methylenepent-4-enyl)oxirane
|
152.23
|
3
|
0
|
1
|
12.53
|
4
|
|
|
(8S,15R)-15-ethyl-5-hydroxy-1,11-diazapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2(7),3,5-triene-10,18-dione
|
326.40
|
1.5
|
1
|
3
|
60.85
|
1
|
|
|
(1R,2S)-2-[4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,6-dimethoxyphenoxy]-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propyl beta-D-glucopyranoside
|
688.60
|
1.2
|
8
|
16
|
247.43
|
12
|
|
|
Trieleostearin
|
873.30
|
19.8
|
0
|
6
|
78.9
|
47
|
|
|
(1S,2R,10R,11S,13R)-6,8-dihydroxy-2,14,14-trimethyl-10-phenyl-3-oxatetracyclo[11.1.1.02,11.04,9]pentadeca-4,6,8-triene-5,7-dicarbaldehyde
|
406.50
|
5.2
|
2
|
5
|
83.83
|
3
|
|
|
(+)-6-Dodecen-4-olide
|
196.29
|
3.6
|
0
|
2
|
26.3
|
6
|
|
|
(S)-4-Dodecanolide
|
198.30
|
3.8
|
0
|
2
|
26.3
|
7
|
|
|
tert-Amyl acetate
|
130.18
|
1.5
|
0
|
2
|
26.3
|
3
|
|
|
(3S,4aR,10bS)-3-(4-hydroxyphenyl)-9-methoxy-4a,5,6,10b-tetrahydro-3H-benzo[f]chromen-8-ol
|
324.40
|
3.6
|
2
|
4
|
58.92
|
2
|
|
|
(3aR,4S,5S)-4-hydroxy-7-methoxy-1,5,8-trimethyl-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one
|
274.31
|
1.9
|
1
|
4
|
55.76
|
1
|
|
|
2-Methyl-5-propylpyrazine
|
136.19
|
1.4
|
0
|
2
|
25.78
|
2
|
|
|
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aS,14aS,14bR)-10,11,14a-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicene-4a-carboxylic acid
|
488.70
|
5.4
|
4
|
5
|
97.99
|
1
|
|
|
(2E,14Z)-N-(2-methylpropyl)icosa-2,14-dienamide
|
363.60
|
9.3
|
1
|
1
|
29.1
|
18
|
|
|
(E)-3-[(1S,2R,3R,4S)-2-(1,3-benzodioxol-5-yl)-4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(piperidine-1-carbonyl)cyclobutyl]-1-piperidin-1-ylprop-2-en-1-one
|
570.70
|
4.9
|
0
|
6
|
77.54
|
6
|
|
|
(1R,5R,8S)-4-hydroxy-8-methyl-1-(2-methylbutanoyl)-3,5-bis(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione
|
482.70
|
8.3
|
1
|
4
|
71.44
|
10
|
|
|
(2S,4S,7S,9R,11R,15R)-15-hydroxy-4,8,8,11,15-pentamethyl-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-1(13)-ene-12,16-dione
|
332.40
|
2.2
|
1
|
4
|
66.9
|
0
|
|
|
Dehydrotomatine
|
1032.20
|
-1.5
|
13
|
22
|
337.86
|
11
|
|
|
(2Z)-5-(2,6-dimethylbicyclo[3.1.1]hept-2-en-6-yl)-2-methylpent-2-enoic acid
|
234.33
|
3.5
|
1
|
2
|
37.3
|
4
|
|
|
2-Amino-1,3,4,5-eicosanetetrol
|
361.60
|
4.6
|
5
|
5
|
106.94
|
18
|
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