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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
(7,7-Dimethyl-2-methylidene-6-tricyclo[6.2.1.01,5]undecanyl)methanol
|
220.35
|
3.8
|
1
|
1
|
20.23
|
1
|
|
|
5-Methylheptane-2,4-dione
|
142.20
|
1.2
|
0
|
2
|
34.14
|
4
|
|
|
7-Butan-2-yl-2,2-dimethylpyrano[4,3-b]pyran-5-one
|
234.29
|
2.9
|
0
|
3
|
39.44
|
2
|
|
|
2,2-Dimethyl-7-(2-methylpropyl)pyrano[4,3-b]pyran-5-one
|
234.29
|
3
|
0
|
3
|
39.44
|
2
|
|
|
N-p-Coumaroyltyrosine
|
327.30
|
1.4
|
4
|
5
|
106.86
|
6
|
|
|
4,5-Epoxydec-2(trans)-enal
|
168.23
|
2
|
0
|
2
|
29.6
|
6
|
|
|
(1S,4S,10S,13R,15R)-4-Hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-one
|
261.36
|
0.7
|
1
|
3
|
40.54
|
0
|
|
|
1,8-Menthadien-2-ol
|
152.23
|
2.7
|
1
|
1
|
20.23
|
1
|
|
|
5-Methylhexanal
|
114.19
|
1.9
|
0
|
1
|
17.07
|
4
|
|
|
Shengmanol xyloside
|
620.80
|
3.7
|
5
|
9
|
141.37
|
3
|
|
|
Epidihydrofawcettidine
|
247.38
|
2.9
|
1
|
2
|
23.47
|
0
|
|
|
7,4'-Dihydroxyflavan
|
242.27
|
3.1
|
2
|
3
|
49.69
|
1
|
|
|
(10E)-octadeca-10,12-dienoic acid
|
280.40
|
7.1
|
1
|
2
|
37.3
|
14
|
|
|
Jatrophane 5
|
779.80
|
3.7
|
2
|
15
|
211.15
|
14
|
|
|
(1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylprop-2-enoate
|
332.40
|
2.1
|
0
|
5
|
69.67
|
3
|
|
|
(1S,2R,3R,6R,8R,11S,12R,13R,14S,15S,16S,17S)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-11-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one
|
574.60
|
-4.4
|
9
|
14
|
236.06
|
3
|
|
|
1-Propanone, 1-(2,4-dihydroxy-3-((2-hydroxyphenyl)methyl)-6-methoxy-5-methylphenyl)-3-phenyl-
|
392.40
|
5.2
|
3
|
5
|
86.99
|
7
|
|
|
Arcapillin
|
360.30
|
2.6
|
3
|
8
|
118.59
|
4
|
|
|
Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 8,9-dimethoxy-6-methyl-
|
348.40
|
5.4
|
0
|
4
|
41.02
|
2
|
|
|
Daphneticin
|
386.40
|
2.1
|
2
|
8
|
107.59
|
4
|
|
|
methyl 4-[(E)-6-methyl-4-oxohept-2-en-2-yl]benzoate
|
260.33
|
3.8
|
0
|
3
|
43.37
|
6
|
|
|
(Z)-2-[(4-hydroxyphenyl)methyl]but-2-enedioic acid
|
222.19
|
1.1
|
3
|
5
|
94.83
|
4
|
|
|
methyl (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoate
|
194.18
|
1.7
|
2
|
4
|
66.76
|
3
|
|
|
Spinacoside D
|
764.90
|
5.8
|
6
|
14
|
226.58
|
10
|
|
|
Esulatin D
|
636.70
|
2.8
|
0
|
13
|
174.87
|
12
|
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