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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(4aS,6R,6aS,6aR,8aR,12aR,14aR,14bS)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-6-ol
|
426.70
|
9.5
|
1
|
1
|
20.23
|
0
|
|
|
[(8S)-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate
|
313.39
|
0.5
|
1
|
5
|
78.82
|
7
|
|
|
(1S,4S,5R,8R,9R,10S,13S,14R,17S,18R)-10-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-2-one
|
779.00
|
2.2
|
7
|
13
|
204.83
|
6
|
|
|
(Z)-2-acetyloxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
|
252.22
|
1.7
|
2
|
6
|
93.06
|
5
|
|
|
3,3,5-trimethyl-1-(3,3,5-trimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazol-10-yl)-2,11-dihydro-1H-pyrano[3,2-a]carbazole
|
528.70
|
9
|
2
|
2
|
50.04
|
1
|
|
|
Dihydro-4-(hydroxymethyl)-3,5-dimethyl-2
|
144.17
|
0.4
|
1
|
3
|
46.53
|
1
|
|
|
4-[(2S,3S)-4-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
|
346.40
|
3.8
|
3
|
5
|
79.15
|
7
|
|
|
Bengalensol
|
330.40
|
1.7
|
1
|
4
|
55.76
|
1
|
|
|
(1R,3S,4R,5R,7S)-4-methyl-1,3,7-tris(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione
|
552.80
|
9.9
|
0
|
5
|
77.51
|
11
|
|
|
(1S,3R,12R,15R,16S,18R)-11,11,15-trimethyl-1,16,18-tris(3-methylbut-2-enyl)-20-oxapentacyclo[16.2.1.03,12.03,15.05,10]henicosa-5,7,9-triene-2,4,19,21-tetrone
|
584.80
|
10
|
0
|
5
|
77.51
|
6
|
|
|
Luteolin 7-O-(2-apiosyl-6-malonyl)-glucoside
|
666.50
|
-1
|
9
|
18
|
292.57
|
11
|
|
|
(1S,8S,11S)-4,7,7,11-tetramethyltricyclo[6.3.0.01,5]undec-4-ene
|
204.35
|
4.3
|
0
|
0
|
0
|
0
|
|
|
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-(4-hydroxy-3-methoxyphenyl)chromen-4-one
|
578.50
|
-1.1
|
7
|
14
|
217.97
|
8
|
|
|
3-(1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
|
576.50
|
-0.9
|
6
|
14
|
206.97
|
7
|
|
|
(2R,3R,10R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-10-(4-hydroxy-3,5-dimethoxyphenyl)-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one
|
496.50
|
2.5
|
5
|
10
|
155.14
|
4
|
|
|
cyclo[Leu-Met-Pro-Phe-Phe-Trp-Val-Met(O)]
|
1068.40
|
5.2
|
8
|
11
|
301.38
|
15
|
|
|
4-Benzyl-5-hydroxy-1,7-diphenylheptan-3-one
|
372.50
|
5.5
|
1
|
2
|
37.3
|
10
|
|
|
(2R,4aR,6aR,6bR,8aR,12aR,14aS,14bR)-2,4a,6b,9,9,12a,14a-heptamethyl-10-oxo-3,4,5,6a,7,8,8a,11,12,13,14,14b-dodecahydro-1H-picene-2-carboxylic acid
|
454.70
|
7.3
|
1
|
3
|
54.37
|
1
|
|
|
4-Methoxy-5-methyl-8-propan-2-yl-9-oxatricyclo[6.3.2.02,7]trideca-2(7),3,5-trien-3-ol
|
276.40
|
3.4
|
1
|
3
|
38.69
|
2
|
|
|
(1S,3R,4R,4aS,8aR)-4-[2-(furan-3-yl)ethyl]-1,4-dihydroxy-3,4a,8,8-tetramethyl-3,5,6,8a-tetrahydro-1H-naphthalene-2,7-dione
|
348.40
|
1.9
|
2
|
5
|
87.74
|
3
|
|
|
Methyl glycyrrhetinate
|
484.70
|
6.7
|
1
|
4
|
63.6
|
2
|
|
|
ethyl (3R,3'S,4'R)-4',6-dimethyl-1-oxospiro[benzo[e][2]benzofuran-3,2'-oxolane]-3'-carboxylate
|
340.40
|
3.6
|
0
|
5
|
61.83
|
3
|
|
|
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,4aS,6aS,6aS,6bS,8aR,9S,10R,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,9,12a-pentamethyl-3,4,5,6,6a,6b,7,8,8a,10,11,12,13,14b-tetradecahydro-2H-picene-4a-carboxylate
|
636.80
|
3.1
|
7
|
10
|
177.14
|
5
|
|
|
(4aS,6S,8aR)-4,8a-dimethyl-6-[(2E)-6-methyl-4-oxohepta-2,5-dien-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
|
300.40
|
4.6
|
0
|
2
|
34.14
|
3
|
|
|
(4aS,6S,8aR)-4a-hydroperoxy-4,8a-dimethyl-6-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-5,6,7,8-tetrahydro-1H-naphthalen-2-one
|
334.40
|
3
|
1
|
4
|
63.6
|
5
|
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