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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
6,13-Dihydroxy-7-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),9,11,13-heptaen-3-one
|
282.25
|
3.2
|
2
|
5
|
79.9
|
1
|
|
|
(E)-3-(3,4-Dihydroxyphenyl)propenoic acid [(2R)-3-methyl-2,5-dihydro-5-oxofuran-2-yl]methyl ester
|
290.27
|
1.4
|
2
|
6
|
93.06
|
5
|
|
|
methyl 8-[(1S,5S)-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate
|
306.40
|
5
|
0
|
3
|
43.37
|
12
|
|
|
2-Methylhexadecanoic acid
|
270.50
|
7.8
|
1
|
2
|
37.3
|
14
|
|
|
(3aR,3bS,5aS,9aS,9bR,11aR)-6,6,9a-trimethyl-1-oxo-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydronaphtho[2,1-e][2]benzofuran-3b-carbaldehyde
|
318.40
|
4.5
|
0
|
3
|
43.37
|
1
|
|
|
(3S,4aS,6aR,8S,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-8,10-diol
|
322.50
|
3.4
|
2
|
3
|
49.69
|
1
|
|
|
2-Bromo-3-(3,4,5-trimethoxyphenyl)pyridine
|
324.17
|
3.4
|
0
|
4
|
40.58
|
4
|
|
|
Methyl 2-(2-methoxy-4-hydroxyphenyl)-6-methoxy-3-benzofurancarboxylate
|
328.30
|
3.4
|
1
|
6
|
78.13
|
5
|
|
|
(E)-14-(1,3-benzodioxol-5-yl)tetradec-3-en-2-one
|
330.50
|
6.9
|
0
|
3
|
35.53
|
12
|
|
|
Jamtine
|
343.40
|
2.3
|
0
|
5
|
48
|
4
|
|
|
Uracil
|
112.09
|
-1.1
|
2
|
2
|
65.72
|
0
|
|
|
(1S,2S,6S,7S,9R,13S,15R,16S,17S)-15,16-dihydroxy-4-methoxy-2,6,17-trimethyl-14-methylidene-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
|
376.40
|
1.2
|
2
|
6
|
93.06
|
1
|
|
|
1-Phenylhept-5-ene-1,3-diyne
|
166.22
|
3.7
|
0
|
0
|
0
|
2
|
|
|
Justicidin F
|
378.30
|
3.8
|
0
|
7
|
72.45
|
2
|
|
|
6-Methoxydihydrochelerythrine
|
379.40
|
4.2
|
0
|
6
|
49.39
|
3
|
|
|
Mandshurin
|
384.30
|
-0.3
|
4
|
10
|
148.05
|
5
|
|
|
Rehmaionoside C
|
388.50
|
-0.6
|
5
|
8
|
136.68
|
5
|
|
|
[(1S,2R,5R,6R,7S)-2-[2-(furan-3-yl)ethyl]-2-hydroxy-7-methyl-3-methylidene-8-oxo-9-oxatricyclo[5.3.3.01,6]tridecan-5-yl] acetate
|
388.50
|
2.4
|
1
|
6
|
85.97
|
5
|
|
|
(-)-Semiglabrin
|
392.40
|
3.3
|
0
|
6
|
74.97
|
3
|
|
|
Henryin
|
392.50
|
1.4
|
3
|
6
|
104.06
|
3
|
|
|
Proctorione C
|
392.60
|
7.1
|
2
|
4
|
74.6
|
16
|
|
|
Dauricumine
|
397.80
|
-0.4
|
1
|
7
|
85.3
|
3
|
|
|
Mitraciliatine
|
398.50
|
3.4
|
1
|
5
|
63.79
|
6
|
|
|
[(3aS,4R,6aS,8R,9S,9aR,9bR)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2S)-3-chloro-2-hydroxy-2-methylpropanoate
|
398.80
|
0.6
|
2
|
7
|
105.59
|
4
|
|
|
3-Methoxytangeretin
|
402.40
|
3.2
|
0
|
8
|
85.59
|
7
|
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