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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(25r)-26-O-beta-d-glucopyranosyl-5alpha-furost-20(22)-en-12-one-3beta,26-diol
|
592.80
|
2.5
|
5
|
9
|
145.91
|
7
|
|
|
Pentamethoxyflavanone
|
374.40
|
2.4
|
0
|
7
|
72.45
|
6
|
|
|
Quercetin 3,7-di-O-sulfate
|
462.40
|
1
|
5
|
13
|
234.86
|
5
|
|
|
7-(3,4-Dihydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one
|
342.40
|
3.4
|
3
|
5
|
86.99
|
8
|
|
|
2-(1-Hydroxyethyl)-2-acetyl-naphtho[2,3-b]furan-4,9-dione
|
286.28
|
1
|
1
|
5
|
80.67
|
2
|
|
|
14,20-Dimethyl heptacosanol
|
424.80
|
13.8
|
1
|
1
|
20.23
|
25
|
|
|
6-Hydroxy-8-(prop-1-en-2-yl)-8,9-dihydro-2h-furo-[2,3-h]chromen-2-one
|
244.24
|
2.9
|
1
|
4
|
59.67
|
1
|
|
|
7,2'-Dihydroxy-4',5'-methylenedioxyisoflavan-4-ol
|
302.28
|
1.7
|
3
|
6
|
88.38
|
1
|
|
|
Tetramethoxy-flavanon
|
344.40
|
2.4
|
0
|
6
|
63.22
|
5
|
|
|
2-(3,4-Dimethoxyphenyl)furo[2,3-h]chromen-4-one
|
322.30
|
3.5
|
0
|
5
|
61.81
|
3
|
|
|
Ethyl-1-(ethylthio)ethyldisulfid
|
298.60
|
5.8
|
0
|
4
|
101.2
|
11
|
|
|
(5R,6S,8R,9R,10R,12R,13R,14R,17S)-6,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
474.70
|
5.5
|
3
|
4
|
77.76
|
4
|
|
|
(4aR,5S,9aR)-9a-[(4aR,5S,9aR)-3,4a,5-trimethyl-2-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-9a-yl]-3,4a,5-trimethyl-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
|
462.60
|
5.6
|
0
|
4
|
52.6
|
1
|
|
|
(4aR,5S,9aS)-9a-[(4aR,5S,9aR)-3,4a,5-trimethyl-2-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-9a-yl]-3,4a,5-trimethyl-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
|
462.60
|
5.6
|
0
|
4
|
52.6
|
1
|
|
|
(4S,4aR,5S,8aR)-4-ethoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran
|
262.40
|
4.6
|
0
|
2
|
22.37
|
2
|
|
|
3,13-Dihydroxygibberellin A15
|
362.40
|
0.5
|
3
|
6
|
104.06
|
1
|
|
|
Capsimine
|
415.70
|
5.2
|
3
|
3
|
52.49
|
2
|
|
|
Hexenone
|
98.14
|
1.2
|
0
|
1
|
17.07
|
2
|
|
|
1-(3-indolyl)-2R,3-dihydroxypropan-1-one
|
205.21
|
0.8
|
3
|
3
|
73.32
|
3
|
|
|
methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[3-[(Z)-2-(3,4-dihydroxyphenyl)-1-methoxycarbonyl-vinyloxy]-4-hydroxy-phenyl]prop-2-enoyl]oxy-propanoate
|
566.50
|
4.4
|
5
|
12
|
189.28
|
13
|
|
|
Isocapsicastrine
|
577.80
|
3.6
|
6
|
8
|
131.64
|
5
|
|
|
Pyramidaglain B
|
694.80
|
4.9
|
3
|
9
|
141.65
|
14
|
|
|
5-[3-[2-(Dimethylamino)ethyl]indol-1-yl]-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
|
388.50
|
3.6
|
2
|
3
|
47.43
|
4
|
|
|
(2R)-2-amino-3-[(R)-benzylsulfinyl]propanoic acid
|
227.28
|
-2.7
|
2
|
5
|
99.6
|
5
|
|
|
11,20-Dihydroxysugiol
|
332.40
|
3.9
|
3
|
4
|
77.76
|
2
|
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