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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
1-Hydroxyheptan-2-one
|
130.18
|
1.2
|
1
|
2
|
37.3
|
5
|
|
|
6-Methoxy-2-oxo-3-(2-oxochromen-7-yloxy)chromen-7-yl acetate
|
394.30
|
3.4
|
0
|
8
|
105.18
|
5
|
|
|
(6R)-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
|
408.40
|
2.7
|
1
|
7
|
87.36
|
4
|
|
|
[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
|
285.38
|
1.4
|
2
|
5
|
70
|
6
|
|
|
4-Hydroxy-2-methoxybenzoic acid
|
168.15
|
1.4
|
2
|
4
|
66.76
|
2
|
|
|
3-[(3S,5R,8R,9R,10S,12R,13S,14S,17S)-12,14-dihydroxy-3-[(2R,4S,5S,6S)-4-hydroxy-5-[(2S,4S,5S,6S)-4-hydroxy-5-[(2S,4S,5S,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
795.00
|
1.8
|
5
|
14
|
192.06
|
8
|
|
|
(1R,6R,7S,17S)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
|
351.40
|
0.6
|
2
|
7
|
96.3
|
1
|
|
|
(2R,3R,4R,5S,6R)-2-(1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
|
396.40
|
-0.6
|
6
|
8
|
139.84
|
9
|
|
|
Mallotochromene
|
442.50
|
4.2
|
4
|
8
|
133.52
|
5
|
|
|
(8S,9R,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
|
410.70
|
8.5
|
0
|
1
|
17.07
|
5
|
|
|
(8R,9R,13S,14R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
|
272.40
|
4
|
2
|
2
|
40.46
|
0
|
|
|
4-[(3R,3aR,6S,6aS)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
|
418.40
|
2.2
|
2
|
8
|
95.84
|
6
|
|
|
(1S)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,8,12(15)-tetraen-13-one
|
244.28
|
2.7
|
0
|
3
|
39.44
|
0
|
|
|
Trimethoxyanthraquinone
|
298.29
|
2.8
|
0
|
5
|
61.83
|
3
|
|
|
(2R)-2-amino-9-methylsulfanylnonanoic acid
|
219.35
|
-0.2
|
2
|
4
|
88.62
|
9
|
|
|
Demethoxyaschantin
|
370.40
|
2.8
|
0
|
6
|
55.38
|
4
|
|
|
6-[(3S,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
|
430.40
|
2.7
|
0
|
8
|
73.84
|
6
|
|
|
EpisesarteminA
|
430.40
|
2.7
|
0
|
8
|
73.84
|
6
|
|
|
4-Hydroxyphenylacetic acid
|
152.15
|
0.8
|
2
|
3
|
57.53
|
2
|
|
|
[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enyl] acetate
|
212.28
|
2.2
|
0
|
3
|
38.83
|
6
|
|
|
Pongapinone B
|
396.40
|
4.6
|
0
|
6
|
63.22
|
5
|
|
|
3-(1,3-Benzodioxol-5-yl)-1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)-3-hydroxyprop-2-en-1-one
|
410.40
|
4.4
|
1
|
7
|
83.45
|
5
|
|
|
(1R,3S,4R,5R,7S)-4-[(E)-4-hydroxy-4-methylpent-2-enyl]-4-methyl-1,3,7-tris(3-methylbut-2-enyl)-5-(2-methylpropanoyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione
|
568.80
|
8.1
|
1
|
6
|
97.74
|
11
|
|
|
(1R,3S,4R,5R,7S)-4-[(E)-4-hydroxy-4-methylpent-2-enyl]-4-methyl-5-(2-methylbutanoyl)-1,3,7-tris(3-methylbut-2-enyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione
|
582.80
|
8.5
|
1
|
6
|
97.74
|
12
|
|
|
(1R,3S,4R,5R,7S)-4-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-4-methyl-1,3,7-tris(3-methylbut-2-enyl)-5-(2-methylpropanoyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione
|
584.80
|
8.2
|
1
|
7
|
106.97
|
12
|
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