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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1R,3S,5R,6aS,7R,8R,10S,10aS)-10-hydroxy-1,3-dimethoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate
|
448.60
|
4.6
|
1
|
6
|
74.22
|
8
|
|
|
[(4R)-6-(hydroxymethyl)-5-oxo-4H-oxepin-4-yl] acetate
|
198.17
|
0.1
|
1
|
5
|
72.83
|
3
|
|
|
(2Z)-2-[(1R,3S,5R,10R,14S)-14-hydroxy-3-[(1E,3E)-4-[(1R,2R,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]-2-methylbuta-1,3-dienyl]-14-methyl-4,6-dioxatricyclo[8.4.0.01,5]tetradecan-11-ylidene]propanal
|
484.70
|
4.2
|
2
|
5
|
75.99
|
5
|
|
|
(1S,11R,12R,13R,18S)-11,18-dihydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadeca-2,4,7,9-tetraene-6,15-dione
|
326.30
|
-0.7
|
2
|
5
|
83.83
|
0
|
|
|
(1S,2S,8S)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-diene-5,6,13-trione
|
245.23
|
-0.3
|
0
|
4
|
63.68
|
0
|
|
|
[(1S,2S,3R,4R,7S,8R,10S,12S,13R,14R,15S,17R,19S,20R)-15-(furan-3-yl)-3,4,8,20-tetrahydroxy-2,7,14,20-tetramethyl-5-oxo-6,11,18-trioxahexacyclo[10.8.0.02,10.03,7.014,19.017,19]icosan-13-yl] acetate
|
534.60
|
-0.6
|
4
|
11
|
168.42
|
3
|
|
|
(3S,11R)-3-hydroxy-21-methoxy-17,17-dimethyl-7-(3-methylbut-2-enoxy)-10,12,16-trioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),4(9),5,7,14,18,20-heptaen-2-one
|
450.50
|
4.6
|
1
|
7
|
83.45
|
4
|
|
|
3-[(1R,2R,8R,11R,12R,14R,16R,17S)-2,7,7,11,17-pentamethyl-5,10-dioxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadec-3-en-16-yl]pyrrole-2,5-dione
|
453.50
|
2.2
|
1
|
6
|
102.07
|
1
|
|
|
(1R,4R,6S,8S,11R,12R,13S)-6,11,17-trihydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadec-9-ene-15,18-dione
|
348.40
|
-0.5
|
3
|
6
|
104.06
|
0
|
|
|
(1R,4R,6S,8S,11S,12S,13R)-6-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.19,12.01,11.04,10]octadec-9-ene-15,18-dione
|
316.40
|
1.6
|
1
|
4
|
63.6
|
0
|
|
|
7-[2-Hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
|
434.50
|
5.2
|
1
|
6
|
78.13
|
5
|
|
|
1,3,5-trimethoxy-2-[(1R,2S)-2-(2,4,6-trimethoxyphenyl)cyclobutyl]benzene
|
388.50
|
4.4
|
0
|
6
|
55.38
|
8
|
|
|
[(1S,4S,5R,9S,10R,13R,14S)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyl-6-oxo-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl 2-methylbutanoate
|
420.60
|
3.8
|
2
|
5
|
83.83
|
6
|
|
|
5-Hydroxy-7-[4-hydroxy-3-(2-methylbut-3-en-2-yl)phenyl]-2,2-dimethylpyrano[3,2-g]chromen-6-one
|
404.50
|
5.9
|
2
|
5
|
79.9
|
3
|
|
|
[(4R)-4-acetyloxy-5-oxo-4H-oxepin-6-yl]methyl benzoate
|
302.28
|
1.7
|
0
|
6
|
78.9
|
6
|
|
|
H-Gly-Cys(1)-Pro-Arg-Ile-Leu-Met-Arg-Cys(2)-Lys-Gln-Asp-Ser-Asp-Cys(3)-Leu-Ala-Gly-Cys(1)-Val-Cys(2)-Gly-Pro-Asn-Gly-Phe-Cys(3)-Gly-OH
|
2898.40
|
-14
|
39
|
47
|
1339.37
|
41
|
|
|
(2R,3R,4S,5S,6R)-2-[[(1R,4aS,5S,6S,8aR)-5-hydroxy-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
400.50
|
1
|
5
|
7
|
119.61
|
4
|
|
|
4H-Dibenzo(de,g)quinoline-1,2-diol, 5,6,6a,7-tetrahydro-9,10-dimethoxy-6-methyl-, (6aS)-
|
327.40
|
2.2
|
2
|
5
|
62.16
|
2
|
|
|
[(1S,2E,8S,10R,11R)-6-(acetyloxymethyl)-11-hydroxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] (E)-2-methylbut-2-enoate
|
420.50
|
1.5
|
1
|
8
|
108.36
|
6
|
|
|
(4R,6aR,12aR,12bR)-11-methyl-4-oxido-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-4-ium-12-one
|
273.33
|
2
|
0
|
3
|
49.36
|
0
|
|
|
(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-10-methoxy-2,3,4,5-tetrahydronaphtho[2,1-e][1]benzofuran-7-ol
|
450.50
|
3.7
|
3
|
7
|
97.61
|
5
|
|
|
[(1R,2R,3R,4S,7R,8R,15R,17S,19S)-8-(furan-3-yl)-2-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,3,7-trimethyl-10-oxo-15-propanoyloxy-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-19-yl] (E)-2-methylbut-2-enoate
|
638.70
|
3.9
|
1
|
11
|
147.8
|
10
|
|
|
(3S,6aR,12aR,12bR)-3-[2-(2-hydroxy-6-methylphenyl)-2-oxoethyl]-11-methyl-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-12-one
|
405.50
|
4.5
|
1
|
5
|
66.84
|
3
|
|
|
(11S)-11-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid
|
1197.30
|
-3.9
|
17
|
30
|
471.74
|
29
|
|
|
[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-5,6-dihydroxy-3,7,11,14-tetramethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-15-oxo-11-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl (E)-2-methylbut-2-enoate
|
512.60
|
3.2
|
2
|
7
|
110.13
|
7
|
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