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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
diethyl (E)-2-[(3S,4R)-5,6,7-trihydroxy-3-methoxycarbonyl-1-oxo-3,4-dihydroisochromen-4-yl]but-2-enedioate
|
424.40
|
1.2
|
3
|
11
|
165.89
|
9
|
|
|
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aR)-1,13-diacetyloxy-11-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate
|
677.70
|
4.1
|
2
|
12
|
175.62
|
10
|
|
|
[(1S,2R,5S,6S,7S,8S,9S)-5,8-diacetyloxy-6-(acetyloxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-3-carboxylate
|
506.50
|
2.6
|
0
|
10
|
127.57
|
10
|
|
|
(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-11-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
|
634.80
|
8
|
4
|
7
|
124.29
|
6
|
|
|
2-(4-Hydroxy-2-methoxyphenyl)-4-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-6-ol
|
354.40
|
5.1
|
2
|
5
|
72.06
|
5
|
|
|
(4S)-4-[(E,3R)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one
|
386.40
|
-1
|
5
|
8
|
136.68
|
6
|
|
|
(1S,2S)-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol
|
186.25
|
-0.5
|
3
|
3
|
60.69
|
1
|
|
|
(2S)-2-[1-[(1S,2S,5R,6R,9R,10R,13R,15R)-15-hydroxy-9,10,14,14-tetramethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadecan-6-yl]ethenyl]-5-methyl-2,3-dihydropyran-6-one
|
468.70
|
7.4
|
1
|
4
|
55.76
|
2
|
|
|
(6S)-6-hydroxy-5,5,6-trimethyl-3-oxocyclohexene-1-carboxylic acid
|
198.22
|
0.6
|
2
|
4
|
74.6
|
1
|
|
|
(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol;2,2,2-trifluoroacetic acid
|
703.70
|
|
5
|
15
|
144.35
|
5
|
|
|
(9Z,16R)-octadeca-9,17-dien-12,14-diyne-1,16-diol
|
274.40
|
4.4
|
2
|
2
|
40.46
|
11
|
|
|
[(1S,3R,4E,6R,7S,8E,10R,11S)-7-acetyloxy-6-hydroxy-4,11-bis(hydroxymethyl)-8,11-dimethyl-3-bicyclo[8.1.0]undeca-4,8-dienyl] 3-phenylpropanoate
|
458.50
|
1.2
|
3
|
7
|
113.29
|
9
|
|
|
bis[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-2-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxan-2-yl]methyl] (1R,2R,3R,4R)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
1481.30
|
0.4
|
18
|
34
|
551
|
22
|
|
|
[(2S,3R,4S,5R,6R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
582.60
|
3.2
|
7
|
12
|
195.6
|
10
|
|
|
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
772.70
|
-2.5
|
13
|
21
|
348.58
|
9
|
|
|
(1S,3R,5S,9S)-3-[(Z)-heptadec-12-enyl]-5,9-dihydroxy-2-oxabicyclo[3.3.1]nonan-7-one
|
408.60
|
6.3
|
2
|
4
|
66.76
|
15
|
|
|
(3R)-3,5,7-trihydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-6-(3-methylbut-2-enyl)-2H-chromen-4-one
|
438.50
|
4.6
|
4
|
7
|
116.45
|
3
|
|
|
(2S,3R,4S,5S,6R)-2-[2,4-dihydroxy-6-[(2S,3S)-6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydro-1-benzofuran-3-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
810.70
|
1.1
|
13
|
18
|
309.14
|
10
|
|
|
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aS)-1,3a,11-triacetyloxy-10-benzoyloxy-13-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate
|
719.80
|
4.7
|
1
|
13
|
181.69
|
12
|
|
|
[(2R,3S,4S,5R,6S)-6-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl formate
|
434.40
|
1
|
6
|
10
|
166.14
|
7
|
|
|
1-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl] 2-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-2-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-7-yl]oxyoxan-2-yl]methyl] (1R,2S,3R,4S)-3,4-bis(4-hydroxyphenyl)cyclobutane-1,2-dicarboxylate
|
1319.20
|
2.2
|
15
|
29
|
471.85
|
19
|
|
|
(3R)-5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
354.40
|
4.8
|
2
|
5
|
75.99
|
4
|
|
|
(1S,4aR,5S,8aR)-5-(3-formylbut-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
|
304.40
|
4.2
|
1
|
3
|
54.37
|
5
|
|
|
(3R)-4-ethoxy-3-[(3S,4S)-3-ethoxycarbonyl-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]-4-oxobutanoic acid
|
412.30
|
0.6
|
4
|
11
|
176.89
|
9
|
|
|
3-[[(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-7-hydroxy-17-[(2R,4R)-4-methoxy-6-methylhept-5-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acid
|
572.80
|
6.1
|
2
|
7
|
110.13
|
10
|
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