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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(2R,3S,4S,5R,6S)-6-[[(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
|
490.40
|
0.4
|
6
|
12
|
192.44
|
6
|
|
|
(E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoic acid
|
472.40
|
1.8
|
5
|
10
|
162.98
|
9
|
|
|
(E)-3-[4-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoic acid
|
514.50
|
2
|
4
|
11
|
169.05
|
11
|
|
|
Methyl 3-[4-(hydroxymethyl)phenoxy]-4-methoxybenzoate
|
288.29
|
2.6
|
1
|
5
|
64.99
|
6
|
|
|
2-[4-Hydroxy-6-(hydroxymethyl)-2-[[6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
|
1065.20
|
-1.8
|
14
|
23
|
366.29
|
15
|
|
|
(2R,3R)-9-(3,4-dihydroxyphenyl)-6-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
|
480.40
|
2.9
|
5
|
10
|
159.05
|
4
|
|
|
(2R,3R)-10-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-7-phenyl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-9-one
|
448.40
|
3.6
|
3
|
8
|
118.59
|
4
|
|
|
(2R,3R)-10-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-7-(4-hydroxyphenyl)-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-9-one
|
464.40
|
3.3
|
4
|
9
|
138.82
|
4
|
|
|
(2R,3R)-7-(3,4-dihydroxyphenyl)-10-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-9-one
|
480.40
|
2.9
|
5
|
10
|
159.05
|
4
|
|
|
(3S,4R)-3-[(S)-hydroxy-(3,4,5-trimethoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
|
446.40
|
3.2
|
1
|
9
|
101.91
|
8
|
|
|
2-(3-Hydroxy-5-methoxyphenyl) benzofuran-6-ol
|
256.25
|
3.2
|
2
|
4
|
62.83
|
2
|
|
|
Toddalosin
|
562.60
|
4.9
|
1
|
9
|
117.57
|
7
|
|
|
Murranimbine
|
526.70
|
8.3
|
1
|
2
|
39.18
|
0
|
|
|
Curcumalactone
|
236.35
|
4.2
|
0
|
2
|
26.3
|
2
|
|
|
(1R,2S,7R,9R,13R,14S,15S,16S,17S)-13,16-dihydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
|
394.50
|
1.1
|
2
|
7
|
102.29
|
2
|
|
|
(2S,3S,9S,10S)-9-hydroxy-4-methyl-4-oxido-11,16,18-trioxa-4-azoniapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
|
331.32
|
0.2
|
1
|
6
|
88.05
|
0
|
|
|
7-Hydroxy-2-methylanthraquinone
|
238.24
|
2.9
|
1
|
3
|
54.37
|
0
|
|
|
5,7-Dimethoxynaphthalen-1-ol
|
204.22
|
2.8
|
1
|
3
|
38.69
|
2
|
|
|
Isonicotinamide
|
122.12
|
-0.3
|
1
|
2
|
55.98
|
1
|
|
|
1-Heptadecanol
|
256.50
|
7.8
|
1
|
1
|
20.23
|
15
|
|
|
Ponganone I
|
366.40
|
4.5
|
1
|
5
|
64.99
|
5
|
|
|
1-(5,8-Dimethoxy-2,2-dimethylchromen-6-yl)-3-phenylpropane-1,3-dione
|
366.40
|
4
|
0
|
5
|
61.83
|
6
|
|
|
Sophoraflavanone I
|
650.70
|
8.1
|
6
|
9
|
156.91
|
8
|
|
|
(2S)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
650.70
|
8.2
|
6
|
9
|
156.91
|
7
|
|
|
Hematoxylol
|
288.25
|
1.6
|
4
|
6
|
107.22
|
0
|
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