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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
5,5'-Dimethoxysecoisolariciresinol
|
422.50
|
2.5
|
4
|
8
|
117.84
|
11
|
|
|
2-[2,4-Dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
|
422.50
|
6.2
|
4
|
6
|
111.13
|
5
|
|
|
(5Z,8Z,11Z,14Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14-tetraenamide
|
423.60
|
7.5
|
1
|
2
|
38.33
|
17
|
|
|
Desoxylimonin
|
454.50
|
2.2
|
0
|
7
|
92.04
|
1
|
|
|
Limonol
|
472.50
|
2.1
|
1
|
8
|
107.73
|
1
|
|
|
(3S,6aS,12aR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
|
428.70
|
10.1
|
1
|
1
|
20.23
|
0
|
|
|
Cimicifugic acid E
|
432.40
|
1.8
|
5
|
10
|
170.82
|
10
|
|
|
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(4-hydroxy-3-methoxyphenoxy)oxane-3,4,5-triol
|
434.40
|
-2.4
|
7
|
12
|
187.76
|
7
|
|
|
7-Oxabicyclo[4.1.0]heptan-2-one, 1-methyl-4-(1-methylethenyl)-
|
166.22
|
1.6
|
0
|
2
|
29.6
|
1
|
|
|
Bullatine B
|
437.60
|
-0.1
|
3
|
7
|
91.62
|
5
|
|
|
(3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,7,8,9,10,12,12a,13,14-dodecahydropicen-3-ol
|
440.70
|
7.1
|
2
|
2
|
40.46
|
1
|
|
|
Mallotochroman
|
444.50
|
4.2
|
4
|
8
|
133.52
|
5
|
|
|
Lupan-3beta,20-diol
|
444.70
|
8.4
|
2
|
2
|
40.46
|
1
|
|
|
(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
|
448.70
|
5
|
4
|
4
|
80.92
|
6
|
|
|
Primulagenin A
|
458.70
|
7
|
3
|
3
|
60.69
|
1
|
|
|
(2Z)-2-[(2R,3S,4S)-4-hydroxy-2-(3-hydroxypropyl)-3,4-dimethyl-3-[(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propanal
|
458.70
|
6.9
|
2
|
3
|
57.53
|
13
|
|
|
Celestrol methyl ester
|
464.60
|
6.3
|
1
|
4
|
63.6
|
2
|
|
|
N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-N-methylbenzamide
|
464.70
|
7.7
|
0
|
2
|
23.55
|
4
|
|
|
Rhinacanthin Q
|
474.50
|
5.1
|
1
|
7
|
99.13
|
8
|
|
|
Nicandrenone
|
466.60
|
2.5
|
2
|
6
|
91.82
|
2
|
|
|
(8bR,14aR)-11-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-8b,14a-dihydrophenanthro[10,9-b][1,4]benzodioxine-2,4,6,7-tetrol
|
484.50
|
4.5
|
6
|
8
|
139.84
|
2
|
|
|
methyl 7-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
|
404.40
|
-2.8
|
6
|
11
|
175.37
|
6
|
|
|
Hydantoin
|
100.08
|
-1.7
|
2
|
2
|
58.2
|
0
|
|
|
Quercetin 3-O-(6''-acetyl-glucoside)
|
506.40
|
0.4
|
7
|
13
|
216.58
|
6
|
|
|
Syringaresinol
|
418.40
|
2.2
|
2
|
8
|
95.84
|
6
|
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