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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Enniatin B1
|
653.80
|
6.9
|
0
|
9
|
139.83
|
7
|
|
|
(5aR,9R,10R,11aR,11bS)-10-hydroxy-9-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-11a-methyl-3-(2-methylfuran-3-yl)-1,5a,6,8,9,10,11,11b-octahydrobenzo[g][2]benzoxepin-5-one
|
939.00
|
1.8
|
5
|
19
|
242.12
|
13
|
|
|
Lutein dimyristate
|
989.60
|
24.6
|
0
|
4
|
52.6
|
38
|
|
|
Methylprotodioscin
|
1063.20
|
-0.7
|
12
|
22
|
335.06
|
15
|
|
|
Celogenamide A
|
1092.20
|
-0.4
|
12
|
14
|
361.82
|
18
|
|
|
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9,10-dibenzoyloxy-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
|
1169.30
|
4.6
|
11
|
22
|
347.58
|
15
|
|
|
2-(4-hydroxy-1H-indol-3-yl)acetonitrile
|
172.18
|
1.3
|
2
|
2
|
59.81
|
1
|
|
|
Myrioxazine A
|
181.27
|
2.1
|
0
|
2
|
12.47
|
0
|
|
|
2-Methyl-3-pentanol
|
102.17
|
1.8
|
1
|
1
|
20.23
|
2
|
|
|
3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z)-
|
194.31
|
2.9
|
1
|
1
|
20.23
|
2
|
|
|
Paniculidine C
|
203.28
|
2.9
|
2
|
1
|
36.02
|
4
|
|
|
methyl (E)-3-(5-hydroxy-2-methoxyphenyl)prop-2-enoate
|
208.21
|
1.8
|
1
|
4
|
55.76
|
4
|
|
|
3-Butanoyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one
|
222.24
|
0.9
|
1
|
4
|
63.6
|
3
|
|
|
(3E,6R,7R,9Z,12E)-pentadeca-3,9,12-trien-1-yne-6,7-diol
|
234.33
|
2.9
|
2
|
2
|
40.46
|
8
|
|
|
(1R,5R,8R)-8-hydroxy-8-[(E,3S)-3-hydroxybut-1-enyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
|
240.29
|
-0.6
|
2
|
4
|
66.76
|
2
|
|
|
Koeniginequinone A
|
241.24
|
2.3
|
1
|
3
|
59.16
|
1
|
|
|
2-Methyl-3-pentanone
|
100.16
|
1.5
|
0
|
1
|
17.07
|
2
|
|
|
2-Hydroxybutyric acid
|
104.10
|
0.1
|
2
|
3
|
57.53
|
2
|
|
|
Vellosimine
|
292.40
|
2
|
1
|
2
|
36.1
|
1
|
|
|
(4aS,10aS)-6-methoxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10a-tetrahydrophenanthrene
|
298.50
|
6.8
|
0
|
1
|
9.23
|
2
|
|
|
Cardanol
|
298.50
|
7.6
|
1
|
1
|
20.23
|
12
|
|
|
5alpha-Androstane-3,7,17-trione
|
302.40
|
1.8
|
0
|
3
|
51.21
|
0
|
|
|
3'-O-methyltricetin
|
316.26
|
1.4
|
4
|
7
|
120.36
|
2
|
|
|
[(1R,2S,6R,7S,12R)-2,6-dimethyl-12-propan-2-yl-13,14-dioxatetracyclo[10.2.2.01,10.02,7]hexadec-10-en-6-yl]methanol
|
320.50
|
3.9
|
1
|
3
|
38.69
|
2
|
|
|
Atroviridin
|
326.30
|
3.4
|
3
|
6
|
100.13
|
0
|
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