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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6-[(8a-Carboxy-4-formyl-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
|
941.10
|
1.7
|
10
|
19
|
308.89
|
10
|
|
|
Lucyoside K
|
632.80
|
4.5
|
5
|
9
|
153.75
|
5
|
|
|
6,8-Epoxy-p-menthane
|
154.25
|
2.4
|
0
|
1
|
9.23
|
0
|
|
|
Blumealactone A
|
364.40
|
2.7
|
1
|
6
|
85.36
|
3
|
|
|
Blumealactone B
|
364.40
|
3
|
1
|
6
|
85.36
|
3
|
|
|
Blumealactone C
|
324.40
|
1.5
|
1
|
6
|
85.36
|
2
|
|
|
[(1R,2R,3R,5R,9R,10R,11R)-2-hydroxy-5,9-dimethyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.03,5]tetradecan-10-yl] acetate
|
324.40
|
1.5
|
1
|
6
|
85.36
|
2
|
|
|
(1S,3R,7R,9R,10R,12R,14S)-9,14-dimethyl-4-methylidene-6,11-dioxatetracyclo[7.5.0.03,7.010,12]tetradecane-5,13-dione
|
262.30
|
1.9
|
0
|
4
|
55.9
|
0
|
|
|
3-Ethyl-3-methylheptane
|
142.28
|
5.2
|
0
|
0
|
0
|
5
|
|
|
(3S,3aS,5aR,6R,8R,9aS,9bS)-6,8-dihydroxy-3,5a-dimethyl-9-methylidene-3a,4,5,6,7,8,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2-one
|
266.33
|
1
|
2
|
4
|
66.76
|
0
|
|
|
Erivanin
|
266.33
|
1
|
2
|
4
|
66.76
|
0
|
|
|
[6-hydroxy-3-(hydroxymethyl)-5a-methyl-9-methylidene-2-oxo-5,6,7,8,9a,9b-hexahydro-4H-benzo[g][1]benzofuran-8-yl] acetate
|
322.40
|
0.3
|
2
|
6
|
93.06
|
3
|
|
|
[(7S,9S,10E,11aR)-7-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-2-oxo-4,5,7,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate
|
322.40
|
0.2
|
2
|
6
|
93.06
|
3
|
|
|
[(7R,9S,10E,11aR)-7-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-2-oxo-4,5,7,8,9,11a-hexahydrocyclodeca[b]furan-9-yl] acetate
|
322.40
|
0.2
|
2
|
6
|
93.06
|
3
|
|
|
[(5E,7S,9S,10E,11aR)-7-hydroxy-3-(hydroxymethyl)-6,10-dimethyl-2-oxo-7,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-9-yl] acetate
|
322.40
|
0.2
|
2
|
6
|
93.06
|
3
|
|
|
(3S,3aS,5aR,6R,9bS)-6-hydroxy-3,5a,6,9-tetramethyl-3a,4,5,9b-tetrahydro-3H-furo[2,3-f]isochromene-2,8-dione
|
280.32
|
1.4
|
1
|
5
|
72.83
|
0
|
|
|
(3S,3aS,5aR,6S,9bS)-6-hydroxy-3,5a,6,9-tetramethyl-3a,4,5,9b-tetrahydro-3H-furo[2,3-f]isochromene-2,8-dione
|
280.32
|
1.4
|
1
|
5
|
72.83
|
0
|
|
|
[(3S,3aR,4S,9aR,9bS)-9a-hydroxy-3,6,9-trimethyl-2,7-dioxo-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
|
360.40
|
1.3
|
1
|
6
|
89.9
|
3
|
|
|
[(3S,3aR,4S,9aR,9bS)-9a-hydroxy-3,6,9-trimethyl-2,7-dioxo-3a,4,5,9b-tetrahydro-3H-azuleno[4,5-b]furan-4-yl] 3-methylbutanoate
|
362.40
|
1.4
|
1
|
6
|
89.9
|
4
|
|
|
[(1R,2R,4S,5R,6S,9S,10R,11S,13S)-10-chloro-2,11-dihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl] (Z)-2-methylbut-2-enoate
|
414.90
|
1.3
|
2
|
7
|
105.59
|
3
|
|
|
[(1R,2R,4S,5R,6S,9S,10R,11S,13S)-10-chloro-2,11-dihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl] 3-methylbutanoate
|
416.90
|
1.4
|
2
|
7
|
105.59
|
4
|
|
|
[(1R,2R,4S,5R,6S,9S,10R,11S,13S)-2,10,11-trihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl] (Z)-2-methylbut-2-enoate
|
396.40
|
0
|
3
|
8
|
125.82
|
3
|
|
|
[(1R,2R,4S,5R,6S,9S,10R,11S,13S)-2,10,11-trihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl] 3-methylbutanoate
|
398.40
|
0.1
|
3
|
8
|
125.82
|
4
|
|
|
[(1S,2R,4S,5R,6S,9S,10S,11S,12S,13R)-2,11,12-trihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl] (Z)-2-methylbut-2-enoate
|
396.40
|
0.1
|
3
|
8
|
125.82
|
3
|
|
|
[(1S,2R,4S,5R,6S,9S,10S,11S,12S,13R)-2,11,12-trihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl] 3-methylbutanoate
|
398.40
|
0.2
|
3
|
8
|
125.82
|
4
|
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