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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
4-O-Methylhonokiol
|
280.40
|
5.3
|
1
|
2
|
29.46
|
6
|
|
|
(+)-Argemonine
|
355.40
|
3.3
|
0
|
5
|
40.16
|
4
|
|
|
[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
610.50
|
2.1
|
8
|
14
|
236.81
|
8
|
|
|
(2R)-2-[(2-azaniumylacetyl)amino]propanoate
|
146.14
|
-3
|
2
|
3
|
96.87
|
2
|
|
|
Glycyl-L-alanine
|
146.14
|
-3.7
|
3
|
4
|
92.42
|
3
|
|
|
(5R)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one
|
328.40
|
3.1
|
2
|
4
|
66.76
|
9
|
|
|
L-gamma-Glutamyl-S-methyl-L-cysteinyl-beta-alanine
|
335.38
|
-4.2
|
5
|
8
|
184.12
|
11
|
|
|
(1R,3aS,5aS,5bR,7aR,9S,11aR,11bR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysene-3a-carboxylic acid
|
454.70
|
7.3
|
2
|
3
|
57.53
|
2
|
|
|
Kolaflavanone
|
588.50
|
4
|
7
|
12
|
203.44
|
4
|
|
|
Tomentosin
|
248.32
|
1.9
|
0
|
3
|
43.37
|
3
|
|
|
(1R,4S,5S,8R,9S,10R,11R)-5-(furan-3-yl)-11-hydroxy-4,10-dimethyl-15-oxatetracyclo[6.5.2.01,9.02,6]pentadec-2(6)-ene-3,14-dione
|
342.40
|
1.6
|
1
|
5
|
76.74
|
1
|
|
|
(+)-Leucocyanidin
|
306.27
|
-0.8
|
6
|
7
|
130.61
|
1
|
|
|
2,3-Dihydroxy-7-methoxy-6-methyl-5,8-dioxo-4-propan-2-ylnaphthalene-1-carbaldehyde
|
304.29
|
2.4
|
2
|
6
|
100.9
|
3
|
|
|
Pseudocoptisine
|
320.30
|
3.5
|
0
|
4
|
40.8
|
0
|
|
|
Decursidin
|
426.50
|
4.8
|
0
|
7
|
92.04
|
6
|
|
|
5-Methyl-2-(isopropyl)phenyl isovalerate
|
234.33
|
4.3
|
0
|
2
|
26.3
|
5
|
|
|
4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 2,3-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-, (S)-
|
336.40
|
3.8
|
0
|
4
|
44.76
|
2
|
|
|
butyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
|
410.40
|
1.2
|
5
|
9
|
153.75
|
9
|
|
|
Hydroxytyrosol Acetate
|
196.20
|
-0.1
|
2
|
4
|
66.76
|
4
|
|
|
Butanoic acid, 3-(acetyloxy)-3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (S)-
|
430.40
|
4
|
2
|
8
|
127.2
|
9
|
|
|
Moracin C
|
310.30
|
4.8
|
3
|
4
|
73.83
|
3
|
|
|
schisandrin A
|
416.50
|
5.3
|
0
|
6
|
55.38
|
6
|
|
|
2-(2-Methylbut-2-enoyloxymethyl)but-2-enoic acid
|
198.22
|
1.5
|
1
|
4
|
63.6
|
5
|
|
|
4-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
|
470.50
|
5
|
6
|
7
|
130.61
|
4
|
|
|
(1S,3R,6R,7S,8S,9R,10S,11R,12R,13R,16S,17R)-8-tert-butyl-6,9,12-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
|
424.40
|
-0.3
|
3
|
10
|
148.82
|
1
|
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