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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(1S,3R,4S,5S,6R,7R)-5-hydroxy-1-methyl-7-(3-oxobutyl)-4-propan-2-yl-3-bicyclo[4.1.0]heptanyl] (E)-3-phenylprop-2-enoate
|
384.50
|
4.3
|
1
|
4
|
63.6
|
8
|
|
|
[(1S,3R,6S,8R,11R,12S,13R,14R,15R,16S)-13-acetyloxy-14-hydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-16-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]methyl acetate
|
722.90
|
3
|
5
|
12
|
181.44
|
9
|
|
|
[(1R,6R,7R,10S,15R,16S,17S,18S,19S,20S)-19,20-diacetyloxy-6-(furan-3-yl)-16-(2-methoxy-2-oxoethyl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docos-2-en-18-yl] 2,3-dimethyloxirane-2-carboxylate
|
740.70
|
1.7
|
0
|
15
|
184.86
|
11
|
|
|
2-[(3R,4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-3-yl]acetaldehyde
|
306.50
|
4.7
|
0
|
2
|
26.3
|
2
|
|
|
(2S,3aR,5aS,9R,9aS,9bR)-2-[(E)-but-2-en-2-yl]-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-9-ol
|
306.50
|
4.7
|
1
|
2
|
29.46
|
1
|
|
|
(1'S,2S,4'S,9'S,10'R,13'R)-9'-methyl-14'-methylidenespiro[oxirane-2,5'-tetracyclo[11.2.1.01,10.04,9]hexadecane]
|
272.40
|
4.7
|
0
|
1
|
12.53
|
0
|
|
|
7-[[(1S,2R,4aS,5R,6S,8aR)-6-hydroxy-1,2,4a,5-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]methoxy]chromen-2-one
|
384.50
|
5.8
|
1
|
4
|
59.67
|
3
|
|
|
(3R,3aR,5aR,5bR,6S,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-6-ol
|
426.70
|
9.2
|
1
|
1
|
20.23
|
1
|
|
|
Fusicoplagin B
|
480.60
|
2.4
|
2
|
8
|
119.36
|
8
|
|
|
[(1R,3R,7R,8R,9S,10R,11S,12R)-10,12-dihydroxy-1,8-dimethyl-4-methylidene-5-oxo-12-propan-2-yl-9-tricyclo[9.3.0.03,7]tetradecanyl] acetate
|
378.50
|
3
|
2
|
5
|
83.83
|
3
|
|
|
2-Hydroxy-4-methoxy-3-(3-methylbutyl)-6-(2-phenylethyl)benzoic acid
|
342.40
|
6
|
2
|
4
|
66.76
|
8
|
|
|
(1R,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-4,6-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-3,8,13,16-tetrol
|
409.50
|
-0.9
|
4
|
7
|
102.62
|
3
|
|
|
(1R,4aS,4bR,7R,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
|
302.50
|
5.3
|
1
|
2
|
37.3
|
2
|
|
|
8-[(2S,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
702.60
|
3
|
9
|
15
|
257.04
|
6
|
|
|
Tortuosamine
|
326.40
|
3.2
|
1
|
4
|
43.38
|
6
|
|
|
[(1S,2R,3R,4S,5S,7R,8S,9S,11R,12S,14R,16R,18S)-4,16,18-triacetyloxy-7-formyl-7,10-dimethyl-15-methylidene-13-oxo-10-azahexacyclo[7.7.1.12,14.01,12.03,8.03,11]octadecan-5-yl] benzoate
|
619.70
|
1.8
|
0
|
11
|
142.58
|
10
|
|
|
(3S,3aS,5aR,5bR,7aR,8S,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,11a,13b-pentamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-8-carboxylic acid
|
456.70
|
9.1
|
2
|
3
|
57.53
|
2
|
|
|
Xanthochymusside
|
720.60
|
2.4
|
10
|
16
|
273.36
|
6
|
|
|
(4R,4aS,5R,6aS,6aS,6bR,8aS,10S,12aR,14aR,14bS)-5,10-dihydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
|
458.70
|
6.9
|
2
|
3
|
57.53
|
0
|
|
|
(4R,4aS,5R,6aS,6aS,6bR,8aS,12aR,14aR,14bS)-5-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,4,5,6,6a,7,8,9,12,12a,13,14,14b-tetradecahydropicene-3,10-dione
|
456.70
|
6.6
|
1
|
3
|
54.37
|
0
|
|
|
[(3S,3aR,4S,6R,9bS)-6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
|
306.40
|
0.6
|
1
|
5
|
72.83
|
2
|
|
|
2-Methoxy-3-(3-methylbut-2-enyl)-5-phenylphenol
|
268.30
|
5.1
|
1
|
2
|
29.46
|
4
|
|
|
(1S,2R,10S,13R,14S,16R)-16-(furan-3-yl)-8,15,19-trioxapentacyclo[12.3.2.01,13.02,10.06,10]nonadec-5-en-7-one
|
342.40
|
2.6
|
0
|
5
|
57.9
|
1
|
|
|
(3R,4R,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-ol
|
222.37
|
3.2
|
1
|
1
|
20.23
|
1
|
|
|
(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol
|
218.33
|
3.9
|
1
|
1
|
20.23
|
1
|
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