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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
2-[(1S)-1-hydroxyethyl]benzo[f][1]benzofuran-4,9-dione
|
242.23
|
1.8
|
1
|
4
|
67.51
|
1
|
|
|
methyl (2S)-2-[(1S,3S,5R,7S,8S,9R,11S,12S,16R)-5-acetyloxy-12-(furan-3-yl)-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.01,11.03,8]heptadecan-7-yl]-2-hydroxyacetate
|
546.60
|
2.5
|
1
|
10
|
138.57
|
6
|
|
|
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aS)-1,3a,10-triacetyloxy-11-benzoyloxy-13-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate
|
719.80
|
4.7
|
1
|
13
|
181.69
|
12
|
|
|
(4-hydroxy-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl) acetate
|
278.40
|
3.4
|
1
|
3
|
46.53
|
3
|
|
|
Capsidiol 3-acetate
|
278.40
|
3.4
|
1
|
3
|
46.53
|
3
|
|
|
[(1S,2S,3aR,5R,6E,9S,10S,11S,13R,13aR)-3a,9,10,13-tetraacetyloxy-1-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-11-yl] benzoate
|
656.70
|
4.1
|
1
|
12
|
168.8
|
11
|
|
|
Aubergenone
|
236.35
|
2.9
|
1
|
2
|
37.3
|
1
|
|
|
(3R)-3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-2H-chromen-4-one
|
440.50
|
5.3
|
5
|
7
|
127.45
|
5
|
|
|
7-Hydroxy-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
|
234.33
|
3.4
|
1
|
2
|
37.3
|
1
|
|
|
3-Hydroxysolavetivone
|
234.33
|
3.4
|
1
|
2
|
37.3
|
1
|
|
|
2-(3a,5a-dimethyl-6,7,8,9-tetrahydro-5H-furo[2,3-i][2]benzofuran-8-yl)propan-2-ol
|
252.35
|
1.8
|
1
|
3
|
38.69
|
1
|
|
|
2-[(5aR,8R,9aS)-1,5a-dimethyl-7,8,9,9a-tetrahydro-6H-3-benzoxepin-8-yl]propan-2-ol
|
236.35
|
2.8
|
1
|
2
|
29.46
|
1
|
|
|
cyclo[Ala-Ala-Leu-Gly-Cys(1)-D-Ser-Cys(2)-Lys-Ser-Lys-Val-Cys(3)-Tyr-Arg-Asn-Gly-Ile-Pro-Cys(1)-Gly-Glu-Ser-Cys(2)-Val-Tyr-Ile-Pro-Cys(3)-Ile-Thr]
|
3115.70
|
-6.5
|
41
|
48
|
1322.93
|
36
|
|
|
2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl acetate
|
260.40
|
4.1
|
0
|
2
|
26.3
|
3
|
|
|
2-[(2R)-7,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
|
218.33
|
3.5
|
1
|
1
|
20.23
|
1
|
|
|
2-[(2R)-5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
|
218.33
|
3.5
|
1
|
1
|
20.23
|
1
|
|
|
(11S)-Nootkatone-11,12-diol
|
252.35
|
1.1
|
2
|
3
|
57.53
|
2
|
|
|
[(1S,3R,4E,6R,7S,8E,10R,11S)-6-acetyloxy-7-hydroxy-4,11-bis(hydroxymethyl)-8,11-dimethyl-3-bicyclo[8.1.0]undeca-4,8-dienyl] 3-phenylpropanoate
|
458.50
|
1.2
|
3
|
7
|
113.29
|
9
|
|
|
(1R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
632.80
|
6.6
|
4
|
7
|
124.29
|
6
|
|
|
3-[(3R,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
552.70
|
0.4
|
6
|
10
|
166.14
|
5
|
|
|
[(1S,2S,5S,6S,7R,8S,9R,12R)-5,12-diacetyloxy-6-(acetyloxymethyl)-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate
|
632.60
|
1.7
|
1
|
14
|
187.24
|
13
|
|
|
[(1S,3R,4E,6R,7S,9S,10R,11S)-6-acetyloxy-7,9-dihydroxy-4,11-bis(hydroxymethyl)-11-methyl-8-methylidene-3-bicyclo[8.1.0]undec-4-enyl] 3-phenylpropanoate
|
474.50
|
0.2
|
4
|
8
|
133.52
|
9
|
|
|
4-[(2R,3R)-6-[(3R,3aS,6R,6aS)-3-[(2R,3R)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol
|
658.60
|
2.9
|
6
|
12
|
176.76
|
6
|
|
|
(9S,10E,16R)-octadeca-10,17-dien-12,14-diyne-1,9,16-triol
|
290.40
|
3.2
|
3
|
3
|
60.69
|
11
|
|
|
2-[(1S,3R,5R,7S,9R,10S,12R,14R,15S,18R,19R,22S,23R)-14-formyl-9,10,22-trihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl]acetic acid
|
590.70
|
0.8
|
4
|
11
|
169.05
|
4
|
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