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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
[(4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl acetate
|
280.40
|
2.7
|
1
|
3
|
46.53
|
4
|
|
|
methyl 8-[(1S,5E)-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoate
|
304.40
|
5.2
|
0
|
3
|
43.37
|
11
|
|
|
5,9,11-Trimethoxy-10-methyl-7-propan-2-yl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-one
|
316.30
|
4.1
|
0
|
5
|
53.99
|
4
|
|
|
6-Methoxy-2-[2-(3-methoxy-4-hydroxyphenyl)ethyl]chromone
|
326.30
|
3.4
|
1
|
5
|
68.9
|
5
|
|
|
(1S,6S,7R,13R)-7-[2-(furan-3-yl)ethyl]-2,13-dimethyl-9-oxatricyclo[5.3.3.01,6]tridec-2-ene-4,8-dione
|
328.40
|
2.8
|
0
|
4
|
56.51
|
3
|
|
|
3-methoxy-5-[(Z)-pentadec-10-enyl]phenol
|
332.50
|
8.4
|
1
|
2
|
29.46
|
14
|
|
|
Corymbosin
|
358.30
|
2.3
|
1
|
7
|
87.36
|
5
|
|
|
(2E,12Z)-N-(4-methylpentyl)octadeca-2,12-dienamide
|
363.60
|
8.9
|
1
|
1
|
29.1
|
18
|
|
|
(S)-3-(3,4-Dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
|
374.30
|
2.7
|
4
|
8
|
133.52
|
8
|
|
|
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-methoxy-4-[(1R,2R)-1,2,3-trihydroxypropyl]phenoxy]oxane-3,4,5-triol
|
376.36
|
-3.2
|
7
|
10
|
169.3
|
7
|
|
|
[(2S)-2,3-dihydroxypropyl] (1R,4aR,4bS,8aS,10aR)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate
|
378.50
|
4.8
|
2
|
4
|
66.76
|
5
|
|
|
5-[(2S,3S)-3-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2-(methoxymethyl)butyl]-1,3-benzodioxole
|
402.50
|
4.1
|
0
|
6
|
55.38
|
11
|
|
|
[(1S,2'R,4'S,5S,6S,7S,9S,11R)-2'-formyl-4',7-dihydroxy-1',1'-dimethyl-10-methylidene-2-oxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-11-yl] acetate
|
406.50
|
0.5
|
2
|
7
|
110.13
|
3
|
|
|
(S)-[4-[4-[(R)-hydroxy-[(2R)-oxiran-2-yl]methyl]-2,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-[(2S)-oxiran-2-yl]methanol
|
418.40
|
1.1
|
2
|
8
|
102.44
|
9
|
|
|
(3S,3aR,5R,8R,8aS)-8-hydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,3,3a,4,5,6,7,8a-octahydroazulen-2-one
|
432.50
|
-1.3
|
6
|
9
|
156.91
|
5
|
|
|
[(1S,2S,4R,6S,8S,9R,10S,11S,13S,15R)-8-acetyloxy-6,11,15-trihydroxy-5,5,9-trimethyl-14-methylidene-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
436.50
|
1.6
|
3
|
7
|
113.29
|
4
|
|
|
5-[14-(3,5-Dihydroxy-4-methylphenyl)tetradecyl]-2-methylbenzene-1,3-diol
|
442.60
|
9.9
|
4
|
4
|
80.92
|
15
|
|
|
[(1R,5S,6S,7R,8R,9S,10R,11S,13R)-8-acetyloxy-3-(furan-3-yl)-11-hydroxy-5,6,9-trimethylspiro[2-oxatricyclo[7.3.1.05,13]tridec-3-ene-10,2'-oxirane]-7-yl] acetate
|
446.50
|
2.3
|
1
|
8
|
107.73
|
5
|
|
|
(2S,3R,4S,5S,6R)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
448.50
|
-0.9
|
6
|
10
|
158.3
|
9
|
|
|
methyl (2R)-2-[[(1S,5S,6R,8aS)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-1-carbonyl]amino]-2-phenylacetate
|
467.60
|
5.5
|
2
|
4
|
75.63
|
9
|
|
|
[(4S,6R,6aS,9R,10S,10aS)-6,10-diacetyloxy-3-(ethoxymethyl)-6a,9-dihydroxy-6,9-dimethyl-2-oxo-5,7,8,10-tetrahydro-4H-benzo[h][1]benzofuran-4-yl] acetate
|
484.50
|
-1.1
|
2
|
11
|
154.89
|
9
|
|
|
2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
|
492.40
|
1.2
|
6
|
12
|
188.51
|
5
|
|
|
Glc(b1-6)Glc(b1-4)Glc
|
504.40
|
-6.9
|
11
|
16
|
268.68
|
7
|
|
|
(2R,3R,4S,5S,6R)-2-[(3R,5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
|
508.60
|
1.6
|
7
|
10
|
169.3
|
12
|
|
|
26-Deoxyactein
|
660.80
|
3.9
|
3
|
10
|
136.44
|
4
|
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