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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
8-Methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
|
271.31
|
2.1
|
0
|
3
|
40.46
|
1
|
|
|
7-(2-Hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one
|
419.60
|
4.9
|
2
|
3
|
62.32
|
1
|
|
|
Dehydroxypaxilline
|
419.60
|
4.9
|
2
|
3
|
62.32
|
1
|
|
|
2-(1,2,10-Trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-7-yl)propan-2-ol
|
421.60
|
6.3
|
2
|
2
|
45.25
|
1
|
|
|
CID 14166166
|
266.33
|
1.6
|
1
|
4
|
59.06
|
0
|
|
|
3,5a,9-Trimethyl-3,3a,4,5,9a,9b-hexahydrobenzo[g][1]benzofuran-2-one
|
232.32
|
3.4
|
0
|
2
|
26.3
|
0
|
|
|
Paniculidine A
|
231.29
|
3.2
|
1
|
2
|
42.09
|
5
|
|
|
24-Hydroxy-beta-amyrin
|
442.70
|
8.5
|
2
|
2
|
40.46
|
1
|
|
|
Pisolactone
|
470.70
|
7.8
|
1
|
3
|
46.53
|
3
|
|
|
(3S,5R,10S,13R,14R,17R)-17-[(2S,3S)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
|
456.70
|
8.3
|
2
|
2
|
40.46
|
5
|
|
|
Glochidonol
|
440.70
|
8.6
|
1
|
2
|
37.3
|
1
|
|
|
Germanicol acetate
|
468.80
|
10
|
0
|
2
|
26.3
|
2
|
|
|
(3R,3aR,5aS,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
|
426.70
|
8.7
|
1
|
1
|
20.23
|
1
|
|
|
[(3R,3aR,5aS,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl] acetate
|
468.80
|
9.3
|
0
|
2
|
26.3
|
3
|
|
|
[(3S,4aR,6aS,6bS,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-yl] acetate
|
468.80
|
9.4
|
0
|
2
|
26.3
|
2
|
|
|
[(4S,6E,8S,10R)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl] acetate
|
296.40
|
2.9
|
2
|
4
|
66.76
|
9
|
|
|
(1S,2R,4aR,8R,8aS)-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,8-diol
|
256.38
|
2.5
|
3
|
3
|
60.69
|
1
|
|
|
3-O-[(E)-5-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpent-2-enyl] 1-O-methyl propanedioate
|
390.60
|
6.4
|
0
|
4
|
52.6
|
9
|
|
|
Sibirene
|
204.35
|
4.6
|
0
|
0
|
0
|
1
|
|
|
(1R,2R,4S,5R,6S,13S)-4,5-dihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione
|
282.33
|
0.1
|
2
|
5
|
83.83
|
0
|
|
|
4,5,14-Trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.01,5.06,10]pentadecane-9,13-dione
|
312.31
|
-0.6
|
3
|
7
|
113.29
|
0
|
|
|
4-Heptyn-3-ol
|
112.17
|
1.5
|
1
|
1
|
20.23
|
1
|
|
|
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one
|
738.90
|
2.2
|
6
|
13
|
193.83
|
5
|
|
|
(E)-2-benzyl-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
|
270.28
|
3.1
|
3
|
4
|
77.76
|
4
|
|
|
(E)-2-benzyl-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
|
284.31
|
3.4
|
2
|
4
|
66.76
|
5
|
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