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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-Phenylpyridine
|
155.20
|
2.6
|
0
|
1
|
12.89
|
1
|
|
|
2-Acetyl-6-methylpyridine
|
135.16
|
1.3
|
0
|
2
|
29.96
|
1
|
|
|
(5S,8R,9S,10S,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one
|
330.50
|
3
|
1
|
3
|
54.37
|
1
|
|
|
(2S,3R,4S,5S,6R)-3,5-dimethoxy-6-(methoxymethyl)oxane-2,4-diol
|
222.24
|
-1.5
|
2
|
6
|
77.38
|
4
|
|
|
(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
|
454.70
|
7.9
|
1
|
3
|
54.37
|
2
|
|
|
3-Bromo-5-(hydroxymethyl)benzene-1,2-diol
|
219.03
|
1
|
3
|
3
|
60.69
|
1
|
|
|
4,5-Dicaffeoyl quinic acid
|
516.40
|
1.5
|
7
|
12
|
211.28
|
9
|
|
|
(2R,3R)-2-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
|
312.23
|
0.1
|
5
|
9
|
161.59
|
7
|
|
|
(2S,3R)-trans-caftaric acid
|
312.23
|
0.1
|
5
|
9
|
161.59
|
7
|
|
|
(E)-3-[(2S,3S)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
|
328.30
|
1.7
|
3
|
6
|
96.22
|
4
|
|
|
1,4-Diacetylbenzene
|
162.18
|
1.3
|
0
|
2
|
34.14
|
2
|
|
|
galloyl(-2)[galloyl(-3)][galloyl(-4)][galloyl(-6)]b-Glc
|
788.60
|
1.5
|
13
|
22
|
377.42
|
13
|
|
|
2,3,4,6-Tetragalloyl-D-glucopyranose
|
788.60
|
1.5
|
13
|
22
|
377.42
|
13
|
|
|
(3s,5s)-3,5-Dihydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane
|
376.40
|
3.2
|
4
|
6
|
99.38
|
10
|
|
|
(3R,5S)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
|
376.40
|
3.2
|
4
|
6
|
99.38
|
10
|
|
|
(1E)-7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione
|
386.40
|
1.9
|
3
|
7
|
113.29
|
9
|
|
|
(3R,5R)-1-(4-hydroxyphenyl)-7-phenylheptane-3,5-diol
|
300.40
|
3.6
|
3
|
3
|
60.69
|
8
|
|
|
N-Tetracosanoyltyramine
|
487.80
|
12.8
|
2
|
2
|
49.33
|
25
|
|
|
5,7-Dihydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-2-(4-hydroxyphenyl)chromen-4-one
|
552.50
|
5.4
|
5
|
10
|
170.8
|
4
|
|
|
5-Hydroxy-8-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
|
580.50
|
6
|
3
|
10
|
148.8
|
6
|
|
|
[2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
|
600.50
|
2
|
9
|
15
|
257.04
|
6
|
|
|
4-O-methylsappanol
|
318.32
|
1.4
|
4
|
6
|
99.38
|
3
|
|
|
4-O-Methylepisappanol
|
318.32
|
1.4
|
4
|
6
|
99.38
|
3
|
|
|
3-[(3,4-dihydroxyphenyl)methyl]-3,7-dihydroxy-2H-chromen-4-one
|
302.28
|
1.5
|
4
|
6
|
107.22
|
2
|
|
|
sappanone B
|
302.28
|
1.5
|
4
|
6
|
107.22
|
2
|
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