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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(1'R,2R,4R,5'S)-1',5',6,6,6',6',8,8-octamethyl-4-(2-methylpropyl)spiro[3,4-dihydrochromene-2,2'-bicyclo[3.1.1]heptane]-5,7-dione
|
414.60
|
6.8
|
0
|
3
|
43.37
|
2
|
|
|
1-[(2S)-4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-7-yl]-3-methylbutan-1-one
|
362.50
|
4.6
|
3
|
5
|
86.99
|
6
|
|
|
(4aR,11bS)-7,11-dihydroxy-4,4,9,11b-tetramethyl-1,2,4a,5-tetrahydronaphtho[2,1-f][1]benzofuran-3,6-dione
|
342.40
|
3.6
|
2
|
5
|
87.74
|
0
|
|
|
3,4,5-trihydroxy-2-[[(10R,11S,12R,13S,15R)-3,4,21,22,23-pentahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-13-[3,4,5-trihydroxy-2-[[(9R,10S,11R,12S,14S)-3,4,20,21,22-pentahydroxy-8,17-dioxo-10,11,12-tris[(3,4,5-trihydroxybenzoyl)oxy]-13,16-dioxatetracyclo[16.4.0.02,7.09,14]docosa-1(22),2,4,6,18,20-hexaen-5-yl]oxy]benzoyl]oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-5-yl]oxy]benzoic acid
|
2027.40
|
4.9
|
32
|
56
|
955.12
|
23
|
|
|
(1S,2Z,4R,8R,9R,11Z,13R)-9,13-dihydroxy-2-methyl-7-methylidene-13-propan-2-yl-5,15-dioxatricyclo[9.4.2.04,8]heptadeca-2,11(17)-diene-6,14-dione
|
362.40
|
1.5
|
2
|
6
|
93.06
|
1
|
|
|
(1S,4S,5R,9S,10S,13R)-5-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
|
304.40
|
4.1
|
2
|
3
|
57.53
|
1
|
|
|
[(4aS,8S,8aR,9aS)-9a-methoxy-3,5,8a-trimethyl-2,7-dioxo-4,4a,8,9-tetrahydrobenzo[f][1]benzofuran-8-yl] acetate
|
334.40
|
1
|
0
|
6
|
78.9
|
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-tetraen-14-one
|
342.40
|
1.5
|
0
|
5
|
51.24
|
1
|
|
|
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,5S)-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-1-bicyclo[3.1.1]hept-2-enyl]oxy]oxan-2-yl]methyl benzoate
|
448.50
|
-0.6
|
4
|
9
|
142.75
|
7
|
|
|
(4aR,5R,8aR,9aR)-9a-methoxy-3,5,8a-trimethyl-4,4a,5,9-tetrahydrobenzo[f][1]benzofuran-2,6-dione
|
276.33
|
1.8
|
0
|
4
|
52.6
|
1
|
|
|
(1S,4S,5R,7S,9S,10R,13R,14S)-7-hydroxy-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid
|
336.50
|
3.5
|
3
|
4
|
77.76
|
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,4S,5R)-4-hydroxy-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylate
|
646.70
|
0.3
|
5
|
13
|
190.67
|
10
|
|
|
(2S,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
|
|
|
(4aR,5R,8aR,9aR)-3,5,8a-trimethyl-4a,5,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2,6-dione
|
246.30
|
2
|
0
|
3
|
43.37
|
0
|
|
|
(3S,5R)-3-[(3R)-2,2-dimethyl-5-oxooxolan-3-yl]-5-(2-hydroxypropan-2-yl)-2-oxooxolane-3-carboxylic acid
|
300.30
|
0.8
|
2
|
7
|
110.13
|
3
|
|
|
[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2,8-dioxo-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
|
376.40
|
0.1
|
2
|
7
|
110.13
|
5
|
|
|
(2S,12S)-5-hydroxy-6,8,8,10,10-pentamethyl-12-(2-methylpropyl)-2-phenyl-3,12-dihydro-2H-pyrano[2,3-a]xanthene-4,9,11-trione
|
502.60
|
6.5
|
1
|
6
|
89.9
|
3
|
|
|
1-[4-(4-Methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]ethanone
|
282.40
|
4.6
|
0
|
1
|
17.07
|
5
|
|
|
(1S,16S)-16-hydroxy-3,3,7,7,12,14,14-heptamethyl-6,13-diazatetracyclo[7.6.1.01,11.05,16]hexadeca-5,8,11-trien-10-one
|
342.50
|
2.2
|
2
|
4
|
61.69
|
0
|
|
|
(3S)-5-methoxy-2,2-dimethyl-7-phenyl-3,4-dihydrochromen-3-ol
|
284.30
|
3.5
|
1
|
3
|
38.69
|
2
|
|
|
(11bR)-7,11-dihydroxy-9-(hydroxymethyl)-5-methoxy-4,4,11b-trimethyl-2,3-dihydro-1H-naphtho[2,1-f][1]benzofuran-6-one
|
372.40
|
4.2
|
3
|
6
|
100.13
|
2
|
|
|
6-methyl-4-oxo-2-[(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]hept-5-enoic acid
|
466.70
|
7
|
1
|
4
|
71.44
|
5
|
|
|
(3S,4aR,9S,11bS)-3,7,11-trihydroxy-4,4,9,11b-tetramethyl-2,3,4a,5,8,9-hexahydro-1H-naphtho[2,1-f][1]benzofuran-6-one
|
346.40
|
3.6
|
3
|
5
|
86.99
|
0
|
|
|
(2S,3R,4S,5S,6R)-2-[[(5S,6R,7S)-6-[3,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,4-dihydroxy-5,7-bis(4-hydroxyphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
812.80
|
0.7
|
14
|
18
|
320.14
|
9
|
|
|
8-Hydroxy-3-(2-hydroxy-4-oxopentyl)-6-methoxyisochromen-1-one
|
292.28
|
1.4
|
2
|
6
|
96.97
|
5
|
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