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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4aR,9S,11bS)-7,11-dihydroxy-4,4,9,11b-tetramethyl-1,2,4a,5,8,9-hexahydronaphtho[2,1-f][1]benzofuran-3,6-dione
|
344.40
|
3.3
|
2
|
5
|
83.83
|
0
|
|
|
[(3aR,4R,7R,9S,10Z,11aR)-9-acetyloxy-7-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-(hydroxymethyl)but-2-enoate
|
420.50
|
0.8
|
2
|
8
|
119.36
|
6
|
|
|
(2S,3S)-6-[(E)-2-(3,5-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl)ethenyl]-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-3,8-diol
|
480.60
|
5.4
|
4
|
6
|
99.38
|
5
|
|
|
(2S)-1-[(5aR,8R,9aR)-3-hydroxy-1-methoxy-5a-methyl-8-propan-2-yl-9,9a-dihydro-8H-dibenzofuran-4-yl]-2-methylbutan-1-one
|
358.50
|
5.4
|
1
|
4
|
55.76
|
5
|
|
|
[(4R,4aR,5R,6S,8R,8aS,9aR)-4,8,9a-trihydroxy-3,5,8a-trimethyl-2-oxo-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] acetate
|
340.40
|
-0.1
|
3
|
7
|
113.29
|
2
|
|
|
(1S,4S,5R,9S,10S,12S,13R)-5-formyl-12-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
|
332.40
|
3.2
|
2
|
4
|
74.6
|
2
|
|
|
[(2R,3S,4S,5R,6S)-6-[[(1R,3R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (1R,2S,5R,6S)-2-(hydroxymethyl)-6-methylbicyclo[3.1.1]heptane-6-carboxylate
|
646.70
|
0.4
|
5
|
13
|
190.67
|
11
|
|
|
(3aS,4R,5Z,9E,11aS)-4-hydroxy-10-(hydroxymethyl)-3,6-dimethyl-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-2-one
|
266.33
|
0.7
|
2
|
4
|
66.76
|
1
|
|
|
(5S,7S,8R)-7-methoxy-3-methyl-8-[(1S,3S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-4-enyl]-1,6-dioxaspiro[4.4]non-3-en-2-one
|
494.70
|
6.9
|
0
|
5
|
61.83
|
2
|
|
|
methyl (9S,11bS)-7,11-dihydroxy-4,9,11b-trimethyl-6-oxo-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-3-carboxylate
|
370.40
|
3.2
|
2
|
6
|
93.06
|
2
|
|
|
(9S,11bS)-7,11-dihydroxy-3-(hydroxymethyl)-4,9,11b-trimethyl-8,9-dihydro-1H-naphtho[2,1-f][1]benzofuran-2,6-dione
|
356.40
|
2
|
3
|
6
|
104.06
|
1
|
|
|
2-[4-[(3R,4S)-4-(hydroxymethyl)dioxetan-3-yl]-2,6-dimethoxyphenyl]-3-methoxy-5-prop-2-enylphenol
|
388.40
|
3.1
|
2
|
7
|
86.61
|
8
|
|
|
(2S,3R,4S,5S,6R)-2-[2-[(1R,2S,3R,4S)-2-[3,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-bis(4-hydroxyphenyl)cyclobutyl]-4,6-dihydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
812.80
|
0.5
|
14
|
18
|
320.14
|
10
|
|
|
(1S,13S,16R,18S)-18-methoxy-15-methyl-12-(3-methylbutyl)-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-one
|
398.50
|
3.3
|
0
|
5
|
51.24
|
4
|
|
|
(4aR,6aS,6aS,6bR,8aS,12aR,14aS,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,6b,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one
|
426.70
|
9.8
|
0
|
1
|
17.07
|
0
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,3S,4R,6S)-4-hydroxy-6,9-dimethyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-1-yl]oxy]oxan-2-yl]methyl benzoate
|
464.50
|
-0.3
|
4
|
10
|
151.98
|
6
|
|
|
N-[1-[(5R,6S)-5,6-dihydroxy-1,3,3,4a-tetramethyl-4,7-dioxo-2,5-dihydrocyclopenta[c]pyridin-6-yl]-2-methylpropan-2-yl]acetamide
|
352.40
|
0.3
|
4
|
6
|
115.73
|
3
|
|
|
(1S,13S,16S,18S)-18-methoxy-12,15-dimethyl-5,7-dioxa-12,15-diazapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraene-11,14-dione
|
356.40
|
1.1
|
0
|
5
|
68.31
|
1
|
|
|
(2R,9S,11bS)-2,7,11-trihydroxy-3,4,9,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one
|
342.40
|
2.3
|
3
|
5
|
86.99
|
0
|
|
|
(1S,4S,5R,7S,9S,10R,13R,14S)-7-hydroxy-5-methoxycarbonyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid
|
364.50
|
3.8
|
2
|
5
|
83.83
|
3
|
|
|
(6S)-4-methoxy-7-methyl-6-[[4-[(4,5,14,15,16-pentamethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-6-yl)oxy]phenyl]methyl]-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
|
708.80
|
7.3
|
0
|
11
|
89.55
|
10
|
|
|
(1S,3R,5S,7R,9S,10R,12R,14R,15S,18R,19R,20R,22S,23R)-10,20,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)spiro[4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-9,2'-5H-1,3-thiazole]-14-carbaldehyde
|
603.70
|
0.4
|
3
|
11
|
169.41
|
2
|
|
|
(3S,8S)-3,5,8-trihydroxy-2,2-dimethyl-8-(3-methylbut-2-enyl)-6-(2-methylpropanoyl)-3,4-dihydrochromen-7-one
|
364.40
|
2.4
|
3
|
6
|
104.06
|
4
|
|
|
(1S)-1-[[4-[[(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-8-yl]oxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
|
682.80
|
6.3
|
1
|
10
|
91.32
|
10
|
|
|
[(3aR,4R,6E,9S,10Z,11aR)-6,10-dimethyl-4-(3-methylbutanoyloxy)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
|
462.50
|
1.9
|
2
|
8
|
119.36
|
9
|
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