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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(6aR,11aR)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,10-diol
|
286.28
|
2.3
|
2
|
5
|
68.15
|
1
|
|
|
5-Hydroxy-3,6,7,8-tetramethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one
|
432.40
|
3.3
|
1
|
10
|
115.05
|
6
|
|
|
(1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-[(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
|
770.80
|
0.8
|
6
|
18
|
303.78
|
13
|
|
|
(4aR)-6,10-dihydroxy-7-(2-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4-dihydro-2H-phenanthren-9-one
|
330.40
|
4.4
|
3
|
4
|
77.76
|
1
|
|
|
(12R,16S)-15-methylidene-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),5,8-tetraen-4-one
|
242.23
|
1.7
|
0
|
4
|
48.67
|
0
|
|
|
(12R,16S)-9-methoxy-15-methylidene-3,11,13-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,5,7,9-tetraen-4-one
|
272.25
|
1.7
|
0
|
5
|
57.9
|
1
|
|
|
methyl 3-[(3aR,8bS)-8-hydroxy-1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl]propanoate
|
276.28
|
1.5
|
1
|
5
|
64.99
|
4
|
|
|
3-[(3aR,8bS)-8-hydroxy-1-methylidene-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl]propanoic acid
|
262.26
|
1.1
|
2
|
5
|
75.99
|
3
|
|
|
2-(2,4-Dihydroxyphenyl)-6-hydroxybenzofuran
|
242.23
|
2.9
|
3
|
4
|
73.83
|
1
|
|
|
Nortrachelogenin-5'-C-beta-glucoside
|
536.50
|
0
|
7
|
12
|
195.6
|
8
|
|
|
(2E,6E,10E)-12-acetyloxy-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
|
362.50
|
5.9
|
1
|
4
|
63.6
|
13
|
|
|
(1S,13S,15R,18S)-4,5,18-trimethoxy-14-oxa-11-azapentacyclo[9.8.0.01,15.02,7.013,15]nonadeca-2,4,6,16-tetraene
|
343.40
|
1.7
|
0
|
5
|
43.46
|
3
|
|
|
5,7-dihydroxy-8-[5-[(2R)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-2-(4-methoxyphenyl)chromen-4-one
|
582.60
|
5.7
|
3
|
10
|
144.89
|
6
|
|
|
[(2R,3S,4R,5R,6S)-2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
578.50
|
2.5
|
7
|
12
|
207.35
|
7
|
|
|
(3S)-3-(1,3-Benzodioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxo-2,3-dihydrochromene-6-carbaldehyde
|
356.30
|
3.4
|
2
|
7
|
102.29
|
3
|
|
|
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
610.50
|
-1.4
|
10
|
16
|
269.43
|
7
|
|
|
(1S,9R,10S,16S)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one
|
260.37
|
1.2
|
2
|
2
|
41.13
|
0
|
|
|
(1S,9S,10S)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,16-trien-5-one
|
256.34
|
0.6
|
2
|
2
|
44.89
|
0
|
|
|
(2S,3R)-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-8-[(2S)-5-hydroxy-5-methyl-2-prop-1-en-2-ylhexyl]-5-methoxy-2,3-dihydrochromen-4-one
|
472.50
|
3.7
|
5
|
8
|
136.68
|
8
|
|
|
(3S,3aS,6R)-3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one
|
248.27
|
1.2
|
1
|
4
|
59.67
|
1
|
|
|
(2R)-5,7-Dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-8-yl)-2,3-dihydrochromen-4-one
|
354.40
|
3.3
|
3
|
6
|
96.22
|
1
|
|
|
(6aR)-11-hydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1-olate
|
341.40
|
3.4
|
1
|
4
|
61.75
|
2
|
|
|
Quercetin 3-O-rhamnosyl-galactoside
|
610.50
|
-1.3
|
10
|
16
|
269.43
|
6
|
|
|
(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(4-hydroxy-2-methylphenoxy)oxane-3,4,5-triol
|
286.28
|
-0.4
|
5
|
7
|
119.61
|
3
|
|
|
(2R)-5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
|
408.50
|
6.2
|
3
|
5
|
86.99
|
5
|
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