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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13R,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-methylidene-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene-4,9,13-triol
|
430.70
|
5.6
|
3
|
3
|
60.69
|
0
|
|
|
2-[(1S)-1-[(8R,9S,10S,13S,14S,17R)-3,3-dimethoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-5-methylpiperidine
|
445.70
|
7.6
|
1
|
3
|
30.49
|
4
|
|
|
(1S,2S,3R,5R,8Z,11R)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
|
264.32
|
1.4
|
1
|
4
|
59.06
|
0
|
|
|
[(1S,3R,4S,5R,6R,7S,8R,9R,10R,12S,13S,17S)-3-acetyloxy-4-formyl-17-(furan-3-yl)-1,6,7-trihydroxy-4,8,10,13-tetramethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
|
544.60
|
1.8
|
3
|
9
|
143.5
|
6
|
|
|
(8,9-Dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl) 2-(hydroxymethyl)prop-2-enoate
|
364.40
|
0.2
|
3
|
7
|
113.29
|
4
|
|
|
(3R,4R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4-acetyloxy-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-[(2E,4E)-6-methylocta-2,4-dienoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
666.90
|
9.1
|
2
|
7
|
110.13
|
9
|
|
|
Dehydrobruceine B
|
478.40
|
0.1
|
3
|
11
|
165.89
|
4
|
|
|
[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2,3-dihydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate
|
329.39
|
-1.3
|
3
|
7
|
99.46
|
7
|
|
|
(2S,3S)-2-(dimethylamino)-3-methyl-N-[(3R,4S,7S,10E)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide
|
500.70
|
5
|
3
|
5
|
99.77
|
8
|
|
|
(1aS,4aS,8aR)-4a,8,8-trimethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene-2-carboxylic acid
|
234.33
|
4.1
|
1
|
2
|
37.3
|
1
|
|
|
(1aR,3R,3aS,7R,7aR,7bS)-1a-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,7,7a,7b-octahydronaphtho[1,2-b]oxiren-3-ol
|
236.35
|
2.6
|
1
|
2
|
32.76
|
1
|
|
|
3-(2-Hydroxy-3-methylbut-3-enyl)-4,6,8-trimethoxy-1-methylquinolin-2-one
|
333.40
|
2
|
1
|
5
|
69.92
|
6
|
|
|
2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-dione
|
681.10
|
16.4
|
0
|
2
|
34.14
|
23
|
|
|
methyl (1S,10S,12S,13Z,18S)-13-ethylidene-18-formyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
|
350.40
|
1.3
|
0
|
5
|
58.97
|
3
|
|
|
methyl (1R,12R,13Z,18R)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2(7),3,5-triene-18-carboxylate
|
368.50
|
2.7
|
0
|
5
|
42.01
|
3
|
|
|
Vernosterol
|
410.70
|
8.1
|
1
|
1
|
20.23
|
5
|
|
|
Delphinidin 3-sambubioside
|
597.50
|
|
11
|
15
|
270.75
|
6
|
|
|
[(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
|
299.36
|
-0.4
|
3
|
6
|
90.23
|
6
|
|
|
3-(2,4-Dihydroxyphenyl)-7-(6-hydroxy-1-benzofuran-2-yl)-13-methyl-4,14-dioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2,5,7,9,11,15(20),16,18-octaene-9,17-diol
|
560.50
|
5.5
|
5
|
8
|
132.75
|
2
|
|
|
14-Oxotricosanoic acid
|
368.60
|
7.8
|
1
|
3
|
54.37
|
21
|
|
|
14-Oxotetracosanoic acid
|
382.60
|
8.3
|
1
|
3
|
54.37
|
22
|
|
|
Cyanidin 3-sambubioside 5-glucoside
|
743.60
|
|
13
|
19
|
329.67
|
9
|
|
|
[(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
|
789.90
|
1.5
|
5
|
13
|
215.22
|
12
|
|
|
6-[[2,5-dihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4,6-dioxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexen-1-yl]methylidene]-2,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
|
910.80
|
-2
|
15
|
22
|
407.26
|
10
|
|
|
(1R,2R,3R,6R)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane
|
204.35
|
5.5
|
0
|
0
|
0
|
2
|
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