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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
|
699.20
|
17.8
|
1
|
1
|
20.23
|
28
|
|
|
5-Methyl-2-(propan-2-yl)phenyl pentanoate
|
234.33
|
4.4
|
0
|
2
|
26.3
|
6
|
|
|
2,6-Di-tert-butyl-P-benzoquinone
|
220.31
|
3.4
|
0
|
2
|
34.14
|
2
|
|
|
(S)-(S)-2-Methylbutyl 2-methylbutanoate
|
172.26
|
3.2
|
0
|
2
|
26.3
|
6
|
|
|
[(2S)-2-methylbutyl] (2R)-2-methylbutanoate
|
172.26
|
3.2
|
0
|
2
|
26.3
|
6
|
|
|
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
|
458.40
|
1.2
|
8
|
11
|
197.37
|
4
|
|
|
Isobaimuxinol
|
238.37
|
2.7
|
1
|
2
|
29.46
|
1
|
|
|
2'3'-Dehydro salannol
|
556.70
|
3.4
|
1
|
8
|
104.43
|
8
|
|
|
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] (E)-2-methylbut-2-enoate
|
698.80
|
4.1
|
0
|
12
|
153.87
|
14
|
|
|
(-)-Ephedradine A
|
492.60
|
1.5
|
4
|
6
|
102.93
|
1
|
|
|
L-tyrosine betaine
|
223.27
|
2.2
|
1
|
3
|
60.36
|
3
|
|
|
Moellendorffiline
|
492.40
|
3.2
|
0
|
10
|
115.8
|
4
|
|
|
2,6,8,12-Tetrahydroxy-4-(1-hydroxypropan-2-yl)-3,7,11-trimethyl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-14-one
|
382.40
|
-1.6
|
5
|
7
|
127.45
|
2
|
|
|
(1R,2R,5R,6R,10R,13S,15R)-5-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol
|
426.60
|
6.1
|
1
|
3
|
38.69
|
4
|
|
|
4-Methyl-3-cyclohexenol
|
112.17
|
1
|
1
|
1
|
20.23
|
0
|
|
|
Chalepensin
|
254.28
|
4.3
|
0
|
3
|
43.35
|
2
|
|
|
(E)-1-(2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
|
256.25
|
3.2
|
3
|
4
|
77.76
|
3
|
|
|
6-O-Galloylglucose
|
332.26
|
-2.3
|
7
|
10
|
184.98
|
8
|
|
|
1-Phenylisatin
|
223.23
|
2.1
|
0
|
2
|
37.38
|
1
|
|
|
1,2,3,4-Tetrahydro-9h-pyrrolo[3,4-b]quinolin-9-one
|
186.21
|
0.5
|
2
|
3
|
44.89
|
0
|
|
|
Roseamine
|
795.00
|
4.8
|
2
|
11
|
133.87
|
10
|
|
|
3,3',4',5,5',7-Hexahydroxyflavylium
|
303.24
|
|
6
|
6
|
132.68
|
1
|
|
|
Cyanidin
|
287.24
|
|
5
|
5
|
112.45
|
1
|
|
|
D-Galactonic acid
|
196.16
|
-3.4
|
6
|
7
|
138.45
|
5
|
|
|
2-[2-(3,4,5-Trimethoxyphenyl)ethyl]phenol
|
288.34
|
3.7
|
1
|
4
|
47.92
|
6
|
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