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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Methylsyringin
|
386.40
|
-0.8
|
4
|
9
|
127.07
|
8
|
|
|
(2S)-2-amino-4-(furan-2-yl)-4-oxobutanoic acid
|
183.16
|
-2.7
|
2
|
5
|
93.53
|
4
|
|
|
Serylmethionine
|
236.29
|
-3.2
|
4
|
6
|
137.95
|
7
|
|
|
2-Hydroxy-5-butoxyphenylacetic acid
|
224.25
|
2.3
|
2
|
4
|
66.76
|
6
|
|
|
2-beta-d-Glucopyranosyloxy-5-butoxyphenylacetic acid
|
386.40
|
0.4
|
5
|
9
|
145.91
|
9
|
|
|
(5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
|
370.40
|
1.7
|
2
|
7
|
94.45
|
2
|
|
|
(5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
|
430.40
|
1.7
|
2
|
9
|
112.91
|
4
|
|
|
(5R,5aR,8aR,9R)-9-(3,4-dimethoxyphenyl)-5-hydroxy-4-methoxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
|
414.40
|
2
|
1
|
8
|
92.68
|
4
|
|
|
(5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3-methoxyphenyl)-4-methoxy-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
|
400.40
|
1.7
|
2
|
8
|
103.68
|
3
|
|
|
Ventiloquinone B
|
346.30
|
1.7
|
0
|
7
|
80.29
|
2
|
|
|
7-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
|
432.40
|
1.8
|
6
|
10
|
170.05
|
4
|
|
|
7-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-4-one
|
448.40
|
1.4
|
7
|
11
|
190.28
|
4
|
|
|
2,6-Dimethoxybenzoic acid
|
182.17
|
0.7
|
1
|
4
|
55.76
|
3
|
|
|
4H-Tomentosin
|
250.33
|
2.4
|
1
|
3
|
46.53
|
3
|
|
|
(1R)-2,2,4-trimethyl-5-oxocyclohex-3-ene-1-carboxylic acid
|
182.22
|
1.3
|
1
|
3
|
54.37
|
1
|
|
|
(3Z)-3,7-dimethylocta-3,6-dienoic acid
|
168.23
|
3
|
1
|
2
|
37.3
|
4
|
|
|
(3S,3'S,3aR,4S,4'R,5'S,6S,8'R,9'E,10E,11aR)-3',4-dihydroxy-3,5',10,10'-tetramethylspiro[3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6,15'-7,14-dioxatricyclo[11.4.0.04,8]heptadeca-1(13),9-diene]-2,6',7-trione
|
528.60
|
2.1
|
2
|
8
|
119.36
|
0
|
|
|
[(3R,3aR,4S,6E,10E,11aR)-3,6,10-trimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] acetate
|
292.40
|
2.5
|
0
|
4
|
52.6
|
2
|
|
|
[(1R,4S,6R,9R,10S,11S,13R)-6,13-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
|
376.50
|
2.5
|
2
|
5
|
83.83
|
2
|
|
|
12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
|
398.40
|
0.3
|
4
|
8
|
133.75
|
3
|
|
|
3-(6-Methoxy-9H-beta-carbolin-1-yl)propanoic acid
|
270.28
|
2.1
|
2
|
4
|
75.21
|
4
|
|
|
Ethyl 1-(ethylthio)ethyl disulfide
|
182.40
|
2.8
|
0
|
3
|
75.9
|
5
|
|
|
L-Quebrachitol
|
194.18
|
-3.2
|
5
|
6
|
110.38
|
1
|
|
|
trans-4-Hydroxycyclohexanecarboxylic acid
|
144.17
|
0.3
|
2
|
3
|
57.53
|
1
|
|
|
Threonic acid
|
136.10
|
-2.1
|
4
|
5
|
97.99
|
3
|
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