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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-octanoyloxy-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
|
596.90
|
10
|
1
|
5
|
80.67
|
9
|
|
|
9-Methoxy-7-(2,3,6-trimethoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
|
386.40
|
2.9
|
0
|
8
|
85.59
|
5
|
|
|
(5R,6S,7aS,8R,8aR)-8-acetyl-5,7a-dihydroxy-6-methoxy-3,5-dimethyl-6,7,8,8a-tetrahydrocyclopenta[f][1]benzofuran-2-one
|
308.33
|
-1.1
|
2
|
6
|
93.06
|
2
|
|
|
3-Deoxy-11,13-dihydroisosecotanapartholide
|
264.32
|
0.7
|
0
|
4
|
60.44
|
4
|
|
|
(4S,5S)-5-[(3S,4R)-4-chloro-3-hydroxy-2-methyl-5-oxocyclopenten-1-yl]-3-methylidene-4-(3-oxobutyl)oxolan-2-one
|
312.74
|
0.2
|
1
|
5
|
80.67
|
4
|
|
|
4-((1R,4S)-4-(5-hydroxypent-1-en-2-yl)-2,2-dimethylcyclobutyl)butan-2-one
|
238.37
|
3.1
|
1
|
2
|
37.3
|
7
|
|
|
7-[(E)-3-methyl-4-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]but-2-enoxy]chromen-2-one
|
328.40
|
3.9
|
0
|
5
|
65.74
|
5
|
|
|
7-[[(2R,3S)-3-methyl-3-[[(2S)-4-methylidene-5-oxooxolan-2-yl]methyl]oxiran-2-yl]methoxy]chromen-2-one
|
342.30
|
2.8
|
0
|
6
|
78.27
|
5
|
|
|
7-[(2S,3S)-2,3-dihydroxy-3-methyl-4-[(2R)-4-methylidene-5-oxooxolan-2-yl]butoxy]-8-hydroxychromen-2-one
|
376.40
|
1.4
|
3
|
8
|
126.43
|
6
|
|
|
(5R,6S,7aR,8R,8aR)-8-acetyl-5,7a-dihydroxy-6-methoxy-3,5-dimethyl-6,7,8,8a-tetrahydrocyclopenta[f][1]benzofuran-2-one
|
308.33
|
-1.1
|
2
|
6
|
93.06
|
2
|
|
|
(2R,3R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
|
320.29
|
0.3
|
5
|
7
|
119.61
|
2
|
|
|
b-Cryptoxanthin palmitate
|
791.30
|
20.2
|
0
|
2
|
26.3
|
26
|
|
|
[(1S,2S,6S,7S,9R,11R,13R,14S,16S,17R)-11,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-3,15-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-14-yl] acetate
|
436.50
|
1.6
|
2
|
8
|
119.36
|
3
|
|
|
[(1S,2S,6S,7S,9R,13R,14S,15R,16S,17R)-15-acetyloxy-14-hydroxy-4-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl] acetate
|
478.50
|
1.9
|
1
|
9
|
125.43
|
5
|
|
|
(1S,2S,6S,7S,9R,13R,14S,16S,17R)-14,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11,15-trione
|
392.40
|
1.2
|
2
|
7
|
110.13
|
1
|
|
|
[(1S,2S,6S,7S,9R,13R,14S,16S,17R)-16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-3,11,15-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-14-yl] acetate
|
434.50
|
1.8
|
1
|
8
|
116.2
|
3
|
|
|
[(1S,2S,6S,7S,9R,11R,13R,14S,15R,16S,17R)-14-acetyloxy-11,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-3-oxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-15-yl] acetate
|
480.50
|
1.8
|
2
|
9
|
128.59
|
5
|
|
|
5,2'-Dihydroxy-7,8-dimethoxyflavanone
|
316.30
|
2.7
|
2
|
6
|
85.22
|
3
|
|
|
4-Diphosphocytidyl-2-C-methyl-D-erythritol (CDP-ME)
|
521.31
|
-5.7
|
8
|
14
|
293.2
|
11
|
|
|
3-Ethyltoluene
|
120.19
|
3.6
|
0
|
0
|
0
|
1
|
|
|
2-Hydroxysuccinic Acid Methyl Ester
|
148.11
|
-1
|
2
|
5
|
83.83
|
4
|
|
|
3-(4-hydroxybutyl)-4,5-dihydro-3H-2-benzofuran-1-one
|
208.25
|
1.3
|
1
|
3
|
46.53
|
4
|
|
|
3-Ethylphenol
|
122.16
|
2.4
|
1
|
1
|
20.23
|
1
|
|
|
1-(2-Hydroxy-3-methoxy-5-prop-2-enylphenyl)ethanone
|
206.24
|
2.8
|
1
|
3
|
46.53
|
4
|
|
|
3-Methylbenzaldehyde
|
120.15
|
2
|
0
|
1
|
17.07
|
1
|
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